N-(3,4-dimethylpentyl)aniline

C13H21N — CID 89346874

IUPACN-(3,4-dimethylpentyl)aniline
SMILESCC(C)C(C)CCNc1ccccc1
InChIInChI=1S/C13H21N/c1-11(2)12(3)9-10-14-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyFQSGGUHGAGCIGG-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.78
Rot. Bonds5

About N-(3,4-dimethylpentyl)aniline

N-(3,4-dimethylpentyl)aniline (PubChem CID 89346874) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(3,4-dimethylpentyl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylpentyl)aniline
PubChem CID89346874
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(3,4-dimethylpentyl)aniline
SMILESCC(C)C(C)CCNc1ccccc1
InChIInChI=1S/C13H21N/c1-11(2)12(3)9-10-14-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyFQSGGUHGAGCIGG-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-propylaniline
CID 12153
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
ethane;N'-phenylethane-1,2-diamine
CID 91048519
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N-(4-butyloctyl)aniline
CID 175196464
N-(3-propan-2-ylsulfanylpropyl)aniline
CID 62579295
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpentyl)aniline?
The IUPAC name of N-(3,4-dimethylpentyl)aniline (CID 89346874) is N-(3,4-dimethylpentyl)aniline.
What is the SMILES notation for N-(3,4-dimethylpentyl)aniline?
The canonical SMILES for N-(3,4-dimethylpentyl)aniline is CC(C)C(C)CCNc1ccccc1.
What is the InChIKey of N-(3,4-dimethylpentyl)aniline?
The InChIKey is FQSGGUHGAGCIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(2)12(3)9-10-14-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3.
What are the key properties of N-(3,4-dimethylpentyl)aniline?
N-(3,4-dimethylpentyl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpentyl)aniline is sourced from PubChem (CID 89346874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).