1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine

C16H20N4 — CID 106657394

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
SMILESCNC(C1=CCCCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-17-16(13-8-4-2-5-9-13)15-12-18-20(19-15)14-10-6-3-7-11-14/h3,6-8,10-12,16-17H,2,4-5,9H2,1H3
InChIKeyFNRPBMCKKVYKRE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.03
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine (PubChem CID 106657394) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
PubChem CID106657394
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
SMILESCNC(C1=CCCCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-17-16(13-8-4-2-5-9-13)15-12-18-20(19-15)14-10-6-3-7-11-14/h3,6-8,10-12,16-17H,2,4-5,9H2,1H3
InChIKeyFNRPBMCKKVYKRE-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 105088239
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
1-(cyclohepten-1-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 106653201
N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
CID 105177169
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(cycloocten-1-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 106654015
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
CID 105182681
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine (CID 106657394) is 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine is CNC(C1=CCCCC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is FNRPBMCKKVYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-16(13-8-4-2-5-9-13)15-12-18-20(19-15)14-10-6-3-7-11-14/h3,6-8,10-12,16-17H,2,4-5,9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 268.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 106657394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).