N-[(4-butylcyclohexyl)methyl]ethanamine

C13H27N — CID 43163710

IUPACN-[(4-butylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(CNCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-6-12-7-9-13(10-8-12)11-14-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOSSIGFSMWMNDJT-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-butylcyclohexyl)methyl]ethanamine

N-[(4-butylcyclohexyl)methyl]ethanamine (PubChem CID 43163710) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)methyl]ethanamine
PubChem CID43163710
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(4-butylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(CNCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-6-12-7-9-13(10-8-12)11-14-4-2/h12-14H,3-11H2,1-2H3
InChIKeyOSSIGFSMWMNDJT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-butylcyclohexyl)methyl]ethanamine 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-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
N-[(4-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 62542657
3-butoxy-N-[(4-butylcyclohexyl)methyl]propan-1-amine
CID 82223866
2-(4-butylcyclohexyl)ethanol
CID 15085164
molecular hydrogen;N-[[4-(pentoxymethyl)cyclohexyl]methyl]ethanamine
CID 177357546
hexane;pentylcyclopropane
CID 159592467
N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 143499030
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
1-butyl-4-ethylcyclohexane;methane
CID 145295190
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-butylcyclohexyl)methyl]ethanamine (CID 43163710) is N-[(4-butylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-butylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-butylcyclohexyl)methyl]ethanamine is CCCCC1CCC(CNCC)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)methyl]ethanamine?
The InChIKey is OSSIGFSMWMNDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-6-12-7-9-13(10-8-12)11-14-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[(4-butylcyclohexyl)methyl]ethanamine?
N-[(4-butylcyclohexyl)methyl]ethanamine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 43163710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).