N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

C16H23N5 — CID 64760414

IUPACN-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCC(Nc2cccc(-c3nnnn3C)c2)C(C)C1
InChIInChI=1S/C16H23N5/c1-11-7-8-15(12(2)9-11)17-14-6-4-5-13(10-14)16-18-19-20-21(16)3/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyXSPFZDVVUBVMPH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 64760414) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID64760414
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCC(Nc2cccc(-c3nnnn3C)c2)C(C)C1
InChIInChI=1S/C16H23N5/c1-11-7-8-15(12(2)9-11)17-14-6-4-5-13(10-14)16-18-19-20-21(16)3/h4-6,10-12,15,17H,7-9H2,1-3H3
InChIKeyXSPFZDVVUBVMPH-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-(2,4-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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (CID 64760414) is N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is CC1CCC(Nc2cccc(-c3nnnn3C)c2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is XSPFZDVVUBVMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-7-8-15(12(2)9-11)17-14-6-4-5-13(10-14)16-18-19-20-21(16)3/h4-6,10-12,15,17H,7-9H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(2,4-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-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 64760414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).