N-(3-methylcyclohexyl)aniline

C13H19N — CID 4711890

IUPACN-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyPGDVRULABVSJJS-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.68
Rot. Bonds2

About N-(3-methylcyclohexyl)aniline

N-(3-methylcyclohexyl)aniline (PubChem CID 4711890) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)aniline
PubChem CID4711890
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3
InChIKeyPGDVRULABVSJJS-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-(3-methylcyclohexyl)aniline?
The IUPAC name of N-(3-methylcyclohexyl)aniline (CID 4711890) is N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for N-(3-methylcyclohexyl)aniline?
The canonical SMILES for N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccccc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)aniline?
The InChIKey is PGDVRULABVSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)aniline?
N-(3-methylcyclohexyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 4711890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).