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

C16H23N5 — CID 79835127

IUPACN-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC2CCCCC2(C)C)ccc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-12-10-13(7-8-14(12)21-11-17-19-20-21)18-15-6-4-5-9-16(15,2)3/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyCTDAXKSQWKJJKB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds3

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

N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline (PubChem CID 79835127) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline
PubChem CID79835127
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline
SMILESCc1cc(NC2CCCCC2(C)C)ccc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-12-10-13(7-8-14(12)21-11-17-19-20-21)18-15-6-4-5-9-16(15,2)3/h7-8,10-11,15,18H,4-6,9H2,1-3H3
InChIKeyCTDAXKSQWKJJKB-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline (CID 79835127) is N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline is Cc1cc(NC2CCCCC2(C)C)ccc1-n1cnnn1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline?
The InChIKey is CTDAXKSQWKJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-10-13(7-8-14(12)21-11-17-19-20-21)18-15-6-4-5-9-16(15,2)3/h7-8,10-11,15,18H,4-6,9H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline?
N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline has a molecular weight of 285.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 79835127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).