1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine

C13H17N5 — CID 30309738

IUPAC1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C13H17N5/c14-13(9-5-2-6-10-13)12-15-16-17-18(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2
InChIKeyIUZAFHCXISOEIB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.78
Rot. Bonds2

About 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine

1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine (PubChem CID 30309738) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
PubChem CID30309738
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
SMILESNC1(c2nnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C13H17N5/c14-13(9-5-2-6-10-13)12-15-16-17-18(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2
InChIKeyIUZAFHCXISOEIB-UHFFFAOYSA-N
XLogP1.78
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 50812587
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentan-1-amine
CID 3378751
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-phenyltetrazol-5-amine
CID 17418964
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
[1-[1-(4-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7282481
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
1-phenyltetrazole-5-selenol
CID 173399228
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine (CID 30309738) is 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine is NC1(c2nnnn2-c2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
The InChIKey is IUZAFHCXISOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-13(9-5-2-6-10-13)12-15-16-17-18(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2.
What are the key properties of 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine?
1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 30309738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).