N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

C15H21N5 — CID 43687132

IUPACN-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3nnnn3C)c2)C1
InChIInChI=1S/C15H21N5/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-17-18-19-20(15)2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3
InChIKeyCCHMLWXIEGIXIO-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.87
Rot. Bonds3

About N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline

N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 43687132) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID43687132
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3nnnn3C)c2)C1
InChIInChI=1S/C15H21N5/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-17-18-19-20(15)2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3
InChIKeyCCHMLWXIEGIXIO-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687133
N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 64760414
N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 80705914
5,5-dimethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]thian-3-amine
CID 79953493
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
CID 95376117
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
(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
(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 51960803

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline (CID 43687132) is N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is CC1CCCC(Nc2cccc(-c3nnnn3C)c2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is CCHMLWXIEGIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-5-3-7-13(9-11)16-14-8-4-6-12(10-14)15-17-18-19-20(15)2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 271.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 43687132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).