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

C16H23N5 — CID 64760852

IUPACN-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC2CC(C)CCC2C)cc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-11-4-5-12(2)15(8-11)18-14-7-6-13(3)16(9-14)21-10-17-19-20-21/h6-7,9-12,15,18H,4-5,8H2,1-3H3
InChIKeyOWWHOHCZSPFWOL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds3

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

N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline (PubChem CID 64760852) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline
PubChem CID64760852
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline
SMILESCc1ccc(NC2CC(C)CCC2C)cc1-n1cnnn1
InChIInChI=1S/C16H23N5/c1-11-4-5-12(2)15(8-11)18-14-7-6-13(3)16(9-14)21-10-17-19-20-21/h6-7,9-12,15,18H,4-5,8H2,1-3H3
InChIKeyOWWHOHCZSPFWOL-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

4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
CID 65044046
1-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclobutane-1,3-diamine
CID 80560812
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
3-methyl-4-(tetrazol-1-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662117
N-(1-cyclopropylpropyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 64920339
5,5-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]thian-3-amine
CID 79953796
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697259
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline (CID 64760852) is N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline is Cc1ccc(NC2CC(C)CCC2C)cc1-n1cnnn1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline?
The InChIKey is OWWHOHCZSPFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-4-5-12(2)15(8-11)18-14-7-6-13(3)16(9-14)21-10-17-19-20-21/h6-7,9-12,15,18H,4-5,8H2,1-3H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline?
N-(2,5-dimethylcyclohexyl)-4-methyl-3-(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-(2,5-dimethylcyclohexyl)-4-methyl-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 64760852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).