3-[1-[cyclopropyl(propyl)amino]ethyl]aniline

C14H22N2 — CID 61262198

IUPAC3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
SMILESCCCN(C1CC1)C(C)c1cccc(N)c1
InChIInChI=1S/C14H22N2/c1-3-9-16(14-7-8-14)11(2)12-5-4-6-13(15)10-12/h4-6,10-11,14H,3,7-9,15H2,1-2H3
InChIKeyVMSCRKSLENQKIZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds5

About 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline

3-[1-[cyclopropyl(propyl)amino]ethyl]aniline (PubChem CID 61262198) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
PubChem CID61262198
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
SMILESCCCN(C1CC1)C(C)c1cccc(N)c1
InChIInChI=1S/C14H22N2/c1-3-9-16(14-7-8-14)11(2)12-5-4-6-13(15)10-12/h4-6,10-11,14H,3,7-9,15H2,1-2H3
InChIKeyVMSCRKSLENQKIZ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-[cyclopropyl(propyl)amino]ethyl]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

4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
N-[1-(3-chlorophenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231118
2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
CID 61424975
1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
1-N-cyclopropyl-1-(3-methylphenyl)-1-N-propylbutane-1,2-diamine
CID 55020794
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[1-(3-methoxyphenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637072
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
4-[1-[cyclopropyl(2-methoxyethyl)amino]ethyl]aniline
CID 54948492
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746

Frequently Asked Questions

What is the IUPAC name of 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline?
The IUPAC name of 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline (CID 61262198) is 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline?
The canonical SMILES for 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline is CCCN(C1CC1)C(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline?
The InChIKey is VMSCRKSLENQKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-9-16(14-7-8-14)11(2)12-5-4-6-13(15)10-12/h4-6,10-11,14H,3,7-9,15H2,1-2H3.
What are the key properties of 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline?
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[cyclopropyl(propyl)amino]ethyl]aniline is sourced from PubChem (CID 61262198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).