2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

C12H20N4 — CID 62755925

IUPAC2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2=CCCCC2)nn1
InChIInChI=1S/C12H20N4/c1-16-10-12(14-15-16)9-13-8-7-11-5-3-2-4-6-11/h5,10,13H,2-4,6-9H2,1H3
InChIKeyAZGHRZONGDRJOP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 62755925) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
PubChem CID62755925
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCn1cc(CNCCC2=CCCCC2)nn1
InChIInChI=1S/C12H20N4/c1-16-10-12(14-15-16)9-13-8-7-11-5-3-2-4-6-11/h5,10,13H,2-4,6-9H2,1H3
InChIKeyAZGHRZONGDRJOP-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (CID 62755925) is 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is Cn1cc(CNCCC2=CCCCC2)nn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is AZGHRZONGDRJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-10-12(14-15-16)9-13-8-7-11-5-3-2-4-6-11/h5,10,13H,2-4,6-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62755925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).