2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine

C13H24N4 — CID 114213525

IUPAC2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
SMILESCCn1nncc1C(CC1CCCCC1)NC
InChIInChI=1S/C13H24N4/c1-3-17-13(10-15-16-17)12(14-2)9-11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyKGVRTYMMRIFTGH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.53
Rot. Bonds5

About 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine

2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine (PubChem CID 114213525) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
PubChem CID114213525
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
SMILESCCn1nncc1C(CC1CCCCC1)NC
InChIInChI=1S/C13H24N4/c1-3-17-13(10-15-16-17)12(14-2)9-11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3
InChIKeyKGVRTYMMRIFTGH-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 115860135
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine (CID 114213525) is 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine is CCn1nncc1C(CC1CCCCC1)NC.
What is the InChIKey of 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
The InChIKey is KGVRTYMMRIFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-13(10-15-16-17)12(14-2)9-11-7-5-4-6-8-11/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine?
2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 114213525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).