N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

C111H180N12O4 — CID 157106949

IUPACN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)C1=NC=CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.Cc1cc(O)c(C(C)C)c(O)c1
InChIInChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.C10H14O2.C8H18N2.C7H15NO.C7H11N/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)10-8(11)4-7(3)5-9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;4-6,11-12H,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3
InChIKeyAGKFWKYRULYACC-UHFFFAOYSA-N
MW1746.74 g/mol
LogP24.14
Rot. Bonds22

About N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine

N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (PubChem CID 157106949) has the molecular formula C111H180N12O4 and a molecular weight of 1746.74 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
PubChem CID157106949
Molecular FormulaC111H180N12O4
Molecular Weight1746.74 g/mol
Exact Mass1745.43
IUPAC NameN,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
SMILESCC(C)C1=NC=CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.Cc1cc(O)c(C(C)C)c(O)c1
InChIInChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.C10H14O2.C8H18N2.C7H15NO.C7H11N/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)10-8(11)4-7(3)5-9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;4-6,11-12H,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3
InChIKeyAGKFWKYRULYACC-UHFFFAOYSA-N
XLogP24.14
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.74
LogP ≤ 524.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine with MolForge

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Related Compounds

N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;methane;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;2-propan-2-ylbenzene-1,3,5-triol;4-propan-2-ylbenzene-1,2,3-triol;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 157425464

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine (CID 157106949) is N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is CC(C)C1=NC=CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccc(CCN2CCCC2)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N2CCCC2)cc1.CC(C)c1ccc(N2CCN(C)CC2)cc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1cccc(N2CCCC2)n1.Cc1cc(O)c(C(C)C)c(O)c1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
The InChIKey is AGKFWKYRULYACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H23NO.C13H19N.C12H18N2.C11H17N.C10H14O2.C8H18N2.C7H15NO.C7H11N/c1-13(2)15-7-5-14(6-8-15)9-12-16-10-3-4-11-16;1-12(2)13-4-6-14(7-5-13)16-10-8-15(3)9-11-16;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)14-9-3-4-10-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-6(2)10-8(11)4-7(3)5-9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h5-8,13H,3-4,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-9H,1-4H3;4-6,11-12H,1-3H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;3,5-6H,4H2,1-2H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine?
N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine has a molecular weight of 1746.74 g/mol, XLogP of 24.14, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;5-methyl-2-propan-2-ylbenzene-1,3-diol;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-[2-(4-propan-2-ylphenyl)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 157106949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).