1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C16H20N4 — CID 60957859

IUPAC1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESC1=CCC(CNCc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4/c1-3-7-14(8-4-1)11-17-12-15-13-18-20(19-15)16-9-5-2-6-10-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2
InChIKeyUVUQEWBBEURUIQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 60957859) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID60957859
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESC1=CCC(CNCc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4/c1-3-7-14(8-4-1)11-17-12-15-13-18-20(19-15)16-9-5-2-6-10-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2
InChIKeyUVUQEWBBEURUIQ-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
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

1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80709369
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
CID 29009204
2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670561
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 60957859) is 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine is C1=CCC(CNCc2cnn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is UVUQEWBBEURUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-7-14(8-4-1)11-17-12-15-13-18-20(19-15)16-9-5-2-6-10-16/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60957859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).