2-[[cyclohexylmethyl(propyl)amino]methyl]aniline

C17H28N2 — CID 43459942

IUPAC2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-12-19(13-15-8-4-3-5-9-15)14-16-10-6-7-11-17(16)18/h6-7,10-11,15H,2-5,8-9,12-14,18H2,1H3
InChIKeyGKMUCUDXLXMVDT-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.06
Rot. Bonds6

About 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline

2-[[cyclohexylmethyl(propyl)amino]methyl]aniline (PubChem CID 43459942) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
PubChem CID43459942
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-12-19(13-15-8-4-3-5-9-15)14-16-10-6-7-11-17(16)18/h6-7,10-11,15H,2-5,8-9,12-14,18H2,1H3
InChIKeyGKMUCUDXLXMVDT-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline 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

2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline (CID 43459942) is 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline is CCCN(Cc1ccccc1N)CC1CCCCC1.
What is the InChIKey of 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline?
The InChIKey is GKMUCUDXLXMVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-12-19(13-15-8-4-3-5-9-15)14-16-10-6-7-11-17(16)18/h6-7,10-11,15H,2-5,8-9,12-14,18H2,1H3.
What are the key properties of 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline?
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline has a molecular weight of 260.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 43459942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).