4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C18H36N2 — CID 102627741

IUPAC4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C
InChIInChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3
InChIKeyQNIZRUSVMNURNC-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627741) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627741
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C
InChIInChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3
InChIKeyQNIZRUSVMNURNC-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 102627890
4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627905
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627706
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832
4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583
4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627942
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627783
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
6-[[cyclobutylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849427
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627741) is 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN(C)CC2CCCCC2)C1(C)C.
What is the InChIKey of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is QNIZRUSVMNURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14-17(19)11-10-16(18(14,2)3)13-20(4)12-15-8-6-5-7-9-15/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).