3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline

C15H24N2 — CID 63632090

IUPAC3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
SMILESCC(c1cccc(N)c1)N(C)CC1CCCC1
InChIInChI=1S/C15H24N2/c1-12(14-8-5-9-15(16)10-14)17(2)11-13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3
InChIKeyCDNQTPNWSXIYSK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.45
Rot. Bonds4

About 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline

3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline (PubChem CID 63632090) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
PubChem CID63632090
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
SMILESCC(c1cccc(N)c1)N(C)CC1CCCC1
InChIInChI=1S/C15H24N2/c1-12(14-8-5-9-15(16)10-14)17(2)11-13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3
InChIKeyCDNQTPNWSXIYSK-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
CID 43549235
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
3-[1-[2,4-dimethylpentyl(methyl)amino]ethyl]aniline
CID 114200282
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
2-[1-[cyclopentylmethyl(methyl)amino]ethyl]phenol
CID 82721244
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198

Frequently Asked Questions

What is the IUPAC name of 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline?
The IUPAC name of 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline (CID 63632090) is 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline?
The canonical SMILES for 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline is CC(c1cccc(N)c1)N(C)CC1CCCC1.
What is the InChIKey of 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline?
The InChIKey is CDNQTPNWSXIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(14-8-5-9-15(16)10-14)17(2)11-13-6-3-4-7-13/h5,8-10,12-13H,3-4,6-7,11,16H2,1-2H3.
What are the key properties of 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline?
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline is sourced from PubChem (CID 63632090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).