1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine

C182H263N5O6 — CID 158643399

IUPAC1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine
SMILESC.C.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CCN2CCN(c3ccccn3)CC2)c1.CC(C)c1cccc(CN(C)CC(=O)O)c1.CCc1ccc(C(C)C)cc1.CCc1cccc(C(C)C)c1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C20H27N3.C13H19NO2.C12H19N.2C11H16O.3C11H16.C10H12O2.7C10H14.2CH4/c1-17(2)19-7-5-6-18(16-19)9-11-22-12-14-23(15-13-22)20-8-3-4-10-21-20;1-10(2)12-6-4-5-11(7-12)8-14(3)9-13(15)16;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-9(3)5-10(4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11)12;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;;/h3-8,10,16-17H,9,11-15H2,1-2H3;4-7,10H,8-9H2,1-3H3,(H,15,16);5-8,10H,9H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3,(H,11,12);7*4-8H,1-3H3;2*1H4
InChIKeyIAQYHIMMVLIJKX-UHFFFAOYSA-N
MW2617.13 g/mol
LogP50.80
Rot. Bonds31

About 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine

1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 158643399) has the molecular formula C182H263N5O6 and a molecular weight of 2617.13 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine
PubChem CID158643399
Molecular FormulaC182H263N5O6
Molecular Weight2617.13 g/mol
Exact Mass2615.04
IUPAC Name1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine
SMILESC.C.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CCN2CCN(c3ccccn3)CC2)c1.CC(C)c1cccc(CN(C)CC(=O)O)c1.CCc1ccc(C(C)C)cc1.CCc1cccc(C(C)C)c1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C20H27N3.C13H19NO2.C12H19N.2C11H16O.3C11H16.C10H12O2.7C10H14.2CH4/c1-17(2)19-7-5-6-18(16-19)9-11-22-12-14-23(15-13-22)20-8-3-4-10-21-20;1-10(2)12-6-4-5-11(7-12)8-14(3)9-13(15)16;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-9(3)5-10(4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11)12;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;;/h3-8,10,16-17H,9,11-15H2,1-2H3;4-7,10H,8-9H2,1-3H3,(H,15,16);5-8,10H,9H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3,(H,11,12);7*4-8H,1-3H3;2*1H4
InChIKeyIAQYHIMMVLIJKX-UHFFFAOYSA-N
XLogP50.80
TPSA118.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002617.13
LogP ≤ 550.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine (CID 158643399) is 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine is C.C.CC(C)c1ccc(CN(C)C)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CCN2CCN(c3ccccn3)CC2)c1.CC(C)c1cccc(CN(C)CC(=O)O)c1.CCc1ccc(C(C)C)cc1.CCc1cccc(C(C)C)c1.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1C.Cc1cc(C)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is IAQYHIMMVLIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3.C13H19NO2.C12H19N.2C11H16O.3C11H16.C10H12O2.7C10H14.2CH4/c1-17(2)19-7-5-6-18(16-19)9-11-22-12-14-23(15-13-22)20-8-3-4-10-21-20;1-10(2)12-6-4-5-11(7-12)8-14(3)9-13(15)16;1-10(2)12-7-5-11(6-8-12)9-13(3)4;1-8(2)11-6-5-10(12-4)7-9(11)3;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-9(3)5-10(4)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)8-4-3-5-9(6-8)10(11)12;4*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;2*1-8(2)10-7-5-4-6-9(10)3;;/h3-8,10,16-17H,9,11-15H2,1-2H3;4-7,10H,8-9H2,1-3H3,(H,15,16);5-8,10H,9H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-9H,4H2,1-3H3;3-7H,1-2H3,(H,11,12);7*4-8H,1-3H3;2*1H4.
What are the key properties of 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine?
1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 2617.13 g/mol, XLogP of 50.80, 31 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-ylbenzene;N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);2-[methyl-[(3-propan-2-ylphenyl)methyl]amino]acetic acid;3-propan-2-ylbenzoic acid;1-[2-(3-propan-2-ylphenyl)ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 158643399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).