N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C18H35N — CID 81024505

IUPACN-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1CC1CCCCC1
InChIInChI=1S/C18H35N/c1-15(2)13-19-14-18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h15-19H,3-14H2,1-2H3
InChIKeyIMSKRBTXGPHIQR-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds6

About N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81024505) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81024505
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCC1CC1CCCCC1
InChIInChI=1S/C18H35N/c1-15(2)13-19-14-18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h15-19H,3-14H2,1-2H3
InChIKeyIMSKRBTXGPHIQR-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-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

N-[[2-(cyclohexylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81034855
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
1-[2-(cyclohexylmethyl)cyclopentyl]-N-methylmethanamine
CID 81033803
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
CID 81028351
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81024505) is N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCC1CC1CCCCC1.
What is the InChIKey of N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMSKRBTXGPHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-15(2)13-19-14-18-11-7-6-10-17(18)12-16-8-4-3-5-9-16/h15-19H,3-14H2,1-2H3.
What are the key properties of N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81024505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).