N-(1-cyclopentylethyl)-3,4-dimethylaniline

C15H23N — CID 62634053

IUPACN-(1-cyclopentylethyl)-3,4-dimethylaniline
SMILESCc1ccc(NC(C)C2CCCC2)cc1C
InChIInChI=1S/C15H23N/c1-11-8-9-15(10-12(11)2)16-13(3)14-6-4-5-7-14/h8-10,13-14,16H,4-7H2,1-3H3
InChIKeyMTGIFKRGLBJBKG-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.29
Rot. Bonds3

About N-(1-cyclopentylethyl)-3,4-dimethylaniline

N-(1-cyclopentylethyl)-3,4-dimethylaniline (PubChem CID 62634053) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3,4-dimethylaniline
PubChem CID62634053
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(1-cyclopentylethyl)-3,4-dimethylaniline
SMILESCc1ccc(NC(C)C2CCCC2)cc1C
InChIInChI=1S/C15H23N/c1-11-8-9-15(10-12(11)2)16-13(3)14-6-4-5-7-14/h8-10,13-14,16H,4-7H2,1-3H3
InChIKeyMTGIFKRGLBJBKG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclobutylethyl)-3-methyl-4-nitroaniline
CID 115766646
4-(1-cyclohexylethylamino)benzene-1,2-dicarbonitrile
CID 107788205
3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
4-(1-cyclopropylethylamino)-2-methylbenzenecarbothioamide
CID 81276460
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine
CID 43781950
1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
CID 104528885
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3,4-dimethylaniline?
The IUPAC name of N-(1-cyclopentylethyl)-3,4-dimethylaniline (CID 62634053) is N-(1-cyclopentylethyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-3,4-dimethylaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-3,4-dimethylaniline is Cc1ccc(NC(C)C2CCCC2)cc1C.
What is the InChIKey of N-(1-cyclopentylethyl)-3,4-dimethylaniline?
The InChIKey is MTGIFKRGLBJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-8-9-15(10-12(11)2)16-13(3)14-6-4-5-7-14/h8-10,13-14,16H,4-7H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-3,4-dimethylaniline?
N-(1-cyclopentylethyl)-3,4-dimethylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3,4-dimethylaniline is sourced from PubChem (CID 62634053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).