4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine

C15H21N5 — CID 60672744

IUPAC4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H21N5/c1-12-7-9-13(10-8-12)16-11-15-17-18-19-20(15)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3
InChIKeyXYZDQJDTLSGTCN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine

4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 60672744) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID60672744
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H21N5/c1-12-7-9-13(10-8-12)16-11-15-17-18-19-20(15)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3
InChIKeyXYZDQJDTLSGTCN-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62762601
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 63243927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 60672744) is 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine is CC1CCC(NCc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is XYZDQJDTLSGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-7-9-13(10-8-12)16-11-15-17-18-19-20(15)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3.
What are the key properties of 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine?
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60672744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).