2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine

C18H38N2 — CID 114867517

IUPAC2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)C1CCC(C)CC1
InChIInChI=1S/C18H38N2/c1-14(2)11-18(13-19,12-15(3)4)20(6)17-9-7-16(5)8-10-17/h14-17H,7-13,19H2,1-6H3
InChIKeyXHPHVNQMBMIXRQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.29
Rot. Bonds7

About 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine

2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 114867517) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
PubChem CID114867517
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(C)C1CCC(C)CC1
InChIInChI=1S/C18H38N2/c1-14(2)11-18(13-19,12-15(3)4)20(6)17-9-7-16(5)8-10-17/h14-17H,7-13,19H2,1-6H3
InChIKeyXHPHVNQMBMIXRQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867730
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
2-ethyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 54948148
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
CID 113220174
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 114867441
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(oxan-2-ylmethyl)pentane-1,2-diamine
CID 114867512
2-N-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 130993951
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
3-amino-4-methyl-2-[methyl-(4-methylcyclohexyl)amino]pentan-1-ol
CID 114356872

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine (CID 114867517) is 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is XHPHVNQMBMIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-14(2)11-18(13-19,12-15(3)4)20(6)17-9-7-16(5)8-10-17/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine?
2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 114867517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).