N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline

C16H23N5 — CID 75455238

IUPACN-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCC(C)n1nnnc1-c1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N5/c1-12(2)21-16(18-19-20-21)14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h6-7,10-13,17H,3-5,8-9H2,1-2H3
InChIKeyYPOLMYXCOSRERJ-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.67
Rot. Bonds4

About N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline

N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline (PubChem CID 75455238) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline
PubChem CID75455238
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCC(C)n1nnnc1-c1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N5/c1-12(2)21-16(18-19-20-21)14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h6-7,10-13,17H,3-5,8-9H2,1-2H3
InChIKeyYPOLMYXCOSRERJ-UHFFFAOYSA-N
XLogP3.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(1-propan-2-yltetrazol-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-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The IUPAC name of N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline (CID 75455238) is N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline is CC(C)n1nnnc1-c1ccccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The InChIKey is YPOLMYXCOSRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-16(18-19-20-21)14-10-6-7-11-15(14)17-13-8-4-3-5-9-13/h6-7,10-13,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline has a molecular weight of 285.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 75455238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).