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

C12H20N4 — CID 43702877

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CC=CCC1)c1nncn1C
InChIInChI=1S/C12H20N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyHRIWKWQSLKJKCN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds4

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

N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 43702877) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID43702877
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CC=CCC1)c1nncn1C
InChIInChI=1S/C12H20N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyHRIWKWQSLKJKCN-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
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

4-cyclobutylidene-N-[(1S)-1-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 129538674
(1S,6S)-6-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]cyclohex-3-ene-1-carboxamide
CID 164643058
2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
CID 70433566
2-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2,3-dihydropyridin-6-amine
CID 89722799
4-[3-(Cyclohepta-2,4-dien-1-ylmethyl)-5-ethyl-1,2,4-triazol-1-yl]piperidine
CID 142910498
3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
CID 143782084
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
CID 143782091
N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703050
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexan-2-amine
CID 43703109
5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]heptan-3-amine
CID 43703161
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43746915
N-(cyclohex-3-en-1-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748037

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 43702877) is N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCC1CC=CCC1)c1nncn1C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is HRIWKWQSLKJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 43702877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).