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

C16H23N5 — CID 64732994

IUPACN-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C16H23N5/c1-11-4-6-14(8-13(11)3)18-16-9-15(7-5-12(16)2)21-10-17-19-20-21/h5,7,9-11,13-14,18H,4,6,8H2,1-3H3
InChIKeyOMNDDPJMZKAFNN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds3

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

N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline (PubChem CID 64732994) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
PubChem CID64732994
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C16H23N5/c1-11-4-6-14(8-13(11)3)18-16-9-15(7-5-12(16)2)21-10-17-19-20-21/h5,7,9-11,13-14,18H,4,6,8H2,1-3H3
InChIKeyOMNDDPJMZKAFNN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79461547
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364049
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
CID 43697984
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
CID 106593857
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673
4-[(1R,2R)-2-hydroxycyclohexyl]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 133129447
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
4-fluoro-5-methoxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 131961730
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline (CID 64732994) is N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline?
The InChIKey is OMNDDPJMZKAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-4-6-14(8-13(11)3)18-16-9-15(7-5-12(16)2)21-10-17-19-20-21/h5,7,9-11,13-14,18H,4,6,8H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline?
N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 64732994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).