N-(2,5-dimethylcyclohexyl)-4-pentylaniline

C19H31N — CID 64776176

IUPACN-(2,5-dimethylcyclohexyl)-4-pentylaniline
SMILESCCCCCc1ccc(NC2CC(C)CCC2C)cc1
InChIInChI=1S/C19H31N/c1-4-5-6-7-17-10-12-18(13-11-17)20-19-14-15(2)8-9-16(19)3/h10-13,15-16,19-20H,4-9,14H2,1-3H3
InChIKeyUXAITVBLAOIQIO-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.66
Rot. Bonds6

About N-(2,5-dimethylcyclohexyl)-4-pentylaniline

N-(2,5-dimethylcyclohexyl)-4-pentylaniline (PubChem CID 64776176) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-4-pentylaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-4-pentylaniline
PubChem CID64776176
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(2,5-dimethylcyclohexyl)-4-pentylaniline
SMILESCCCCCc1ccc(NC2CC(C)CCC2C)cc1
InChIInChI=1S/C19H31N/c1-4-5-6-7-17-10-12-18(13-11-17)20-19-14-15(2)8-9-16(19)3/h10-13,15-16,19-20H,4-9,14H2,1-3H3
InChIKeyUXAITVBLAOIQIO-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,5-dimethylcyclohexyl)amino]phenyl]-N-ethylacetamide
CID 64763046
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-(4-pentylphenyl)oxepan-4-amine
CID 65076671
N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
N-(4-pentylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772729
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
N-ethyl-4-nonylaniline
CID 154108619
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-4-pentylaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-4-pentylaniline (CID 64776176) is N-(2,5-dimethylcyclohexyl)-4-pentylaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-4-pentylaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-4-pentylaniline is CCCCCc1ccc(NC2CC(C)CCC2C)cc1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-4-pentylaniline?
The InChIKey is UXAITVBLAOIQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-5-6-7-17-10-12-18(13-11-17)20-19-14-15(2)8-9-16(19)3/h10-13,15-16,19-20H,4-9,14H2,1-3H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-4-pentylaniline?
N-(2,5-dimethylcyclohexyl)-4-pentylaniline has a molecular weight of 273.46 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-4-pentylaniline is sourced from PubChem (CID 64776176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).