N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

C18H37N — CID 63523282

IUPACN-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCCC1CCC(CNC(C)C)(CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-7-8-17-9-11-18(12-10-17,13-15(2)3)14-19-16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyFOWQEGMNQOOHAK-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds8

About N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 63523282) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
PubChem CID63523282
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCCC1CCC(CNC(C)C)(CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-7-8-17-9-11-18(12-10-17,13-15(2)3)14-19-16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyFOWQEGMNQOOHAK-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-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

1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
N-[[4-butyl-1-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63521313
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
3-butyl-1-(2-methylpropyl)cyclopentan-1-amine
CID 90886547
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[(1-butan-2-yloxy-4-propylcyclohexyl)methyl]propan-2-amine
CID 63473518
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668

Frequently Asked Questions

What is the IUPAC name of N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (CID 63523282) is N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is CCCCC1CCC(CNC(C)C)(CC(C)C)CC1.
What is the InChIKey of N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is FOWQEGMNQOOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-7-8-17-9-11-18(12-10-17,13-15(2)3)14-19-16(4)5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63523282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).