N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline

C15H21N5 — CID 64762447

IUPACN-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3nn[nH]n3)c2)C1C
InChIInChI=1S/C15H21N5/c1-10-5-3-8-14(11(10)2)16-13-7-4-6-12(9-13)15-17-19-20-18-15/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3,(H,17,18,19,20)
InChIKeyILNROTQDEPOPBB-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.10
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline

N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline (PubChem CID 64762447) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline
PubChem CID64762447
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3nn[nH]n3)c2)C1C
InChIInChI=1S/C15H21N5/c1-10-5-3-8-14(11(10)2)16-13-7-4-6-12(9-13)15-17-19-20-18-15/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3,(H,17,18,19,20)
InChIKeyILNROTQDEPOPBB-UHFFFAOYSA-N
XLogP3.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline (CID 64762447) is N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline is CC1CCCC(Nc2cccc(-c3nn[nH]n3)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is ILNROTQDEPOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-5-3-8-14(11(10)2)16-13-7-4-6-12(9-13)15-17-19-20-18-15/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline?
N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 271.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 64762447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).