1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine

C18H38N2 — CID 20674175

IUPAC1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
SMILESCC(C)CC(C)NC1CCCCC1NCC(C)C(C)C
InChIInChI=1S/C18H38N2/c1-13(2)11-16(6)20-18-10-8-7-9-17(18)19-12-15(5)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyHAWNEBSTVBVVCG-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.20
Rot. Bonds8

About 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine

1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine (PubChem CID 20674175) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
PubChem CID20674175
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
SMILESCC(C)CC(C)NC1CCCCC1NCC(C)C(C)C
InChIInChI=1S/C18H38N2/c1-13(2)11-16(6)20-18-10-8-7-9-17(18)19-12-15(5)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyHAWNEBSTVBVVCG-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(4-methylpentan-2-yl)butane-1,4-diamine;N,N'-bis(4-methylpentan-2-yl)hexane-1,6-diamine;1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 158043434
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
2-ethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 21355496
trans-(1R,2R)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine;dihydrochloride
CID 139240197
trans-(1R,2R)-1-N-[(4-chlorophenyl)methyl]-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 102435304
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
CID 11637771
2,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 63994492
trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
CID 69355597
2-(4-methylpentan-2-ylamino)cyclopentane-1-carboxamide
CID 104587488
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine (CID 20674175) is 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine is CC(C)CC(C)NC1CCCCC1NCC(C)C(C)C.
What is the InChIKey of 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is HAWNEBSTVBVVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-13(2)11-16(6)20-18-10-8-7-9-17(18)19-12-15(5)14(3)4/h13-20H,7-12H2,1-6H3.
What are the key properties of 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylbutyl)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 20674175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).