4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

C20H38N2 — CID 141217448

IUPAC4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCN(C1CCCCC1)C1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C20H38N2/c1-22(19-5-3-2-4-6-19)20-13-9-17(10-14-20)15-16-7-11-18(21)12-8-16/h16-20H,2-15,21H2,1H3
InChIKeyXOAVKSVZEXWGBF-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.72
Rot. Bonds4

About 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 141217448) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID141217448
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCN(C1CCCCC1)C1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C20H38N2/c1-22(19-5-3-2-4-6-19)20-13-9-17(10-14-20)15-16-7-11-18(21)12-8-16/h16-20H,2-15,21H2,1H3
InChIKeyXOAVKSVZEXWGBF-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
N-cyclopropyl-N-methylcyclohexanamine;hydrochloride
CID 67002847
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121604
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine (CID 141217448) is 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is CN(C1CCCCC1)C1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is XOAVKSVZEXWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-22(19-5-3-2-4-6-19)20-13-9-17(10-14-20)15-16-7-11-18(21)12-8-16/h16-20H,2-15,21H2,1H3.
What are the key properties of 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 306.54 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141217448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).