N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H18N4 — CID 106282242

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CC=CCC1)c1ncn[nH]1
InChIInChI=1S/C11H18N4/c1-9(11-13-8-14-15-11)12-7-10-5-3-2-4-6-10/h2-3,8-10,12H,4-7H2,1H3,(H,13,14,15)
InChIKeyLQIMZCWULKMXDT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.81
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106282242) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106282242
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(NCC1CC=CCC1)c1ncn[nH]1
InChIInChI=1S/C11H18N4/c1-9(11-13-8-14-15-11)12-7-10-5-3-2-4-6-10/h2-3,8-10,12H,4-7H2,1H3,(H,13,14,15)
InChIKeyLQIMZCWULKMXDT-UHFFFAOYSA-N
XLogP1.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine with MolForge

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Related Compounds

5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
CID 91378833
6,6-dimethyl-3-(1H-1,2,4-triazol-5-yl)cyclohex-2-en-1-amine
CID 117761755
1-(1H-1,2,4-triazol-5-yl)heptadec-3-en-5-amine
CID 129069584
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716
4-[(E,2R,3S)-4-chloro-3-methyl-5-(1H-1,2,4-triazol-5-yl)pent-4-en-2-yl]piperidine
CID 163494872
(Z)-4-(5-methyl-1H-1,2,4-triazol-3-yl)dec-7-en-1-amine
CID 163878218
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
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)heptan-3-amine
CID 60978338

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106282242) is N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is CC(NCC1CC=CCC1)c1ncn[nH]1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is LQIMZCWULKMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(11-13-8-14-15-11)12-7-10-5-3-2-4-6-10/h2-3,8-10,12H,4-7H2,1H3,(H,13,14,15).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106282242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).