4-[1-[(dimethylamino)methyl]cyclopentyl]aniline

C14H22N2 — CID 115030998

IUPAC4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
SMILESCN(C)CC1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C14H22N2/c1-16(2)11-14(9-3-4-10-14)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyGTIWEESLAMJYLD-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.64
Rot. Bonds3

About 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline

4-[1-[(dimethylamino)methyl]cyclopentyl]aniline (PubChem CID 115030998) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline.

Molecular Properties

Compound Name4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
PubChem CID115030998
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
SMILESCN(C)CC1(c2ccc(N)cc2)CCCC1
InChIInChI=1S/C14H22N2/c1-16(2)11-14(9-3-4-10-14)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyGTIWEESLAMJYLD-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.64
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,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321081
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
CID 112661104
2-[1-(4-aminophenyl)cyclopentyl]acetic acid
CID 21077926

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline?
The IUPAC name of 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline (CID 115030998) is 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline.
What is the SMILES notation for 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline?
The canonical SMILES for 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline is CN(C)CC1(c2ccc(N)cc2)CCCC1.
What is the InChIKey of 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline?
The InChIKey is GTIWEESLAMJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(2)11-14(9-3-4-10-14)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline?
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(dimethylamino)methyl]cyclopentyl]aniline is sourced from PubChem (CID 115030998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).