1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine

C17H30N2 — CID 55018331

IUPAC1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCc1ccccc1C(C(C)N)N(CC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17(15(6)18)16-10-8-7-9-14(16)5/h7-10,12-13,15,17H,11,18H2,1-6H3
InChIKeyFNIJAVUPDMFGOU-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.75
Rot. Bonds6

About 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine

1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine (PubChem CID 55018331) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
PubChem CID55018331
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
SMILESCc1ccccc1C(C(C)N)N(CC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17(15(6)18)16-10-8-7-9-14(16)5/h7-10,12-13,15,17H,11,18H2,1-6H3
InChIKeyFNIJAVUPDMFGOU-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-(2-fluorophenyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79489988
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-N-methyl-1-(2-methylphenyl)-1-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112657415
1-N-methyl-1-(2-methylphenyl)-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 55018087
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine (CID 55018331) is 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine is Cc1ccccc1C(C(C)N)N(CC(C)C)C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FNIJAVUPDMFGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)11-19(13(3)4)17(15(6)18)16-10-8-7-9-14(16)5/h7-10,12-13,15,17H,11,18H2,1-6H3.
What are the key properties of 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine?
1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55018331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).