1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

C14H24N4 — CID 70781971

IUPAC1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CC=CCC1
InChIInChI=1S/C14H24N4/c1-12(2)18-11-15-16-14(18)10-17(3)9-13-7-5-4-6-8-13/h4-5,11-13H,6-10H2,1-3H3
InChIKeyAOCYNQGAWNYTDX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.65
Rot. Bonds5

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

1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 70781971) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID70781971
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CC=CCC1
InChIInChI=1S/C14H24N4/c1-12(2)18-11-15-16-14(18)10-17(3)9-13-7-5-4-6-8-13/h4-5,11-13H,6-10H2,1-3H3
InChIKeyAOCYNQGAWNYTDX-UHFFFAOYSA-N
XLogP2.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
CID 56753499
2-[3-(2-Methylpropyl)-5-[2-(2,3,5-trimethyl-3,4-dihydropyrazol-4-yl)ethyl]-1,2,4-triazol-1-yl]-2,3-dihydropyridine
CID 68030237
N-[[5-[(4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-5-yl)methyl]cyclohex-2-en-1-yl]methyl]-N-methylpropan-1-amine
CID 123556141
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
1-(2-Bicyclo[4.1.0]hept-4-enylmethyl)-5-methyl-1,2,4-triazole
CID 163996097
12-[(1S,2R)-2-ethylcyclopentyl]-1,7,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene
CID 164094719
(2R,4R)-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176706085
7-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 42449719
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783874
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43783889

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 70781971) is 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)CC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is AOCYNQGAWNYTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)18-11-15-16-14(18)10-17(3)9-13-7-5-4-6-8-13/h4-5,11-13H,6-10H2,1-3H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 70781971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).