N-(cyclohexylmethyl)aniline

C13H19N — CID 10888722

IUPACN-(cyclohexylmethyl)aniline
SMILESc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H19N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKeyHXKFBZNJRZNEMJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds3

About N-(cyclohexylmethyl)aniline

N-(cyclohexylmethyl)aniline (PubChem CID 10888722) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)aniline
PubChem CID10888722
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(cyclohexylmethyl)aniline
SMILESc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C13H19N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKeyHXKFBZNJRZNEMJ-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)aniline?
The IUPAC name of N-(cyclohexylmethyl)aniline (CID 10888722) is N-(cyclohexylmethyl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)aniline is c1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)aniline?
The InChIKey is HXKFBZNJRZNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2.
What are the key properties of N-(cyclohexylmethyl)aniline?
N-(cyclohexylmethyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 10888722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).