N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

C16H23N5 — CID 43687133

IUPACN-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H23N5/c1-11-6-4-7-12(2)15(11)17-14-9-5-8-13(10-14)16-18-19-20-21(16)3/h5,8-12,15,17H,4,6-7H2,1-3H3
InChIKeyDESJMPINLITWQP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds3

About N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687133) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687133
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCCC(C)C1Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C16H23N5/c1-11-6-4-7-12(2)15(11)17-14-9-5-8-13(10-14)16-18-19-20-21(16)3/h5,8-12,15,17H,4,6-7H2,1-3H3
InChIKeyDESJMPINLITWQP-UHFFFAOYSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethylcyclohexyl)-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-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687132
N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 64760414
N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 80705914
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
5,5-dimethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thian-3-amine
CID 79953493
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
CID 32977217
N-(2,6-dimethylcyclohexyl)-3-iodoaniline
CID 43124617
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (CID 43687133) is N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is CC1CCCC(C)C1Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is DESJMPINLITWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-6-4-7-12(2)15(11)17-14-9-5-8-13(10-14)16-18-19-20-21(16)3/h5,8-12,15,17H,4,6-7H2,1-3H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).