1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

C16H23N5 — CID 63243666

IUPAC1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCC1CCC(CNCc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H23N5/c1-13-7-9-14(10-8-13)11-17-12-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3
InChIKeyGXQNFJGVADDDBD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine

1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (PubChem CID 63243666) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
PubChem CID63243666
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
SMILESCC1CCC(CNCc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C16H23N5/c1-13-7-9-14(10-8-13)11-17-12-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3
InChIKeyGXQNFJGVADDDBD-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
1-(2-methylcyclopentyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 107417869
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
N'-cyclopropyl-N'-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 62977216
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine (CID 63243666) is 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is CC1CCC(CNCc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
The InChIKey is GXQNFJGVADDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-7-9-14(10-8-13)11-17-12-16-18-19-20-21(16)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine?
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 63243666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).