3-methyl-N-(2-methylpentyl)aniline

C13H21N — CID 43103474

IUPAC3-methyl-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-6-12(3)10-14-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3
InChIKeyFNULHGLQBOYTDJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.84
Rot. Bonds5

About 3-methyl-N-(2-methylpentyl)aniline

3-methyl-N-(2-methylpentyl)aniline (PubChem CID 43103474) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name3-methyl-N-(2-methylpentyl)aniline
PubChem CID43103474
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-6-12(3)10-14-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3
InChIKeyFNULHGLQBOYTDJ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylbutyl)aniline
CID 43103774
3-iodo-N-(2-methylpentyl)aniline
CID 43124492
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
CID 142295227
2,6-dibromo-N-(2-methylpentyl)aniline
CID 107597227
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpentyl)aniline?
The IUPAC name of 3-methyl-N-(2-methylpentyl)aniline (CID 43103474) is 3-methyl-N-(2-methylpentyl)aniline.
What is the SMILES notation for 3-methyl-N-(2-methylpentyl)aniline?
The canonical SMILES for 3-methyl-N-(2-methylpentyl)aniline is CCCC(C)CNc1cccc(C)c1.
What is the InChIKey of 3-methyl-N-(2-methylpentyl)aniline?
The InChIKey is FNULHGLQBOYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-12(3)10-14-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpentyl)aniline?
3-methyl-N-(2-methylpentyl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43103474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).