4-[3-[cyclohexyl(ethyl)amino]propyl]aniline

C17H28N2 — CID 115341723

IUPAC4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
SMILESCCN(CCCc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-19(17-8-4-3-5-9-17)14-6-7-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,18H2,1H3
InChIKeyWNOAMSNVPNAWFU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.86
Rot. Bonds6

About 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline

4-[3-[cyclohexyl(ethyl)amino]propyl]aniline (PubChem CID 115341723) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
PubChem CID115341723
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
SMILESCCN(CCCc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-2-19(17-8-4-3-5-9-17)14-6-7-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,18H2,1H3
InChIKeyWNOAMSNVPNAWFU-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-[cyclohexyl(ethyl)amino]propyl]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

N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
4-[3-[cyclopropyl(cyclopropylmethyl)amino]propyl]aniline
CID 113290708
4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
CID 43267271
4-[3-(diethylamino)propyl]aniline
CID 10608385
N-[3-[4-(2-adamantyl)-3,5-dichlorophenyl]propyl]-N-ethylcyclohexanamine
CID 70003101
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
N,N-diethylcycloundecanamine
CID 163828609
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
CID 174447370

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline?
The IUPAC name of 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline (CID 115341723) is 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline is CCN(CCCc1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline?
The InChIKey is WNOAMSNVPNAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-19(17-8-4-3-5-9-17)14-6-7-15-10-12-16(18)13-11-15/h10-13,17H,2-9,14,18H2,1H3.
What are the key properties of 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline?
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(ethyl)amino]propyl]aniline is sourced from PubChem (CID 115341723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).