N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline

C14H21N5 — CID 43687104

IUPACN-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCCCC(C)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H21N5/c1-4-6-11(2)10-15-13-8-5-7-12(9-13)14-16-17-18-19(14)3/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyVVSLZYQYQDOQCW-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.73
Rot. Bonds6

About N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline

N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687104) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687104
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCCCC(C)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H21N5/c1-4-6-11(2)10-15-13-8-5-7-12(9-13)14-16-17-18-19(14)3/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyVVSLZYQYQDOQCW-UHFFFAOYSA-N
XLogP2.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
CID 116500940
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687182

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline (CID 43687104) is N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline is CCCC(C)CNc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is VVSLZYQYQDOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-11(2)10-15-13-8-5-7-12(9-13)14-16-17-18-19(14)3/h5,7-9,11,15H,4,6,10H2,1-3H3.
What are the key properties of N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 259.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).