1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C13H24N4O — CID 116761834

IUPAC1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOC1(C(Cc2ncnn2C)NC)CCCC1
InChIInChI=1S/C13H24N4O/c1-4-18-13(7-5-6-8-13)11(14-2)9-12-15-10-16-17(12)3/h10-11,14H,4-9H2,1-3H3
InChIKeyYVNABQXEQSATKD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.29
Rot. Bonds6

About 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 116761834) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID116761834
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCOC1(C(Cc2ncnn2C)NC)CCCC1
InChIInChI=1S/C13H24N4O/c1-4-18-13(7-5-6-8-13)11(14-2)9-12-15-10-16-17(12)3/h10-11,14H,4-9H2,1-3H3
InChIKeyYVNABQXEQSATKD-UHFFFAOYSA-N
XLogP1.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethoxycyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105275809
1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 116763883
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116714430
[1-(1-ethoxycyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105276351
N,N-dimethyl-1-[1-(methylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 79066371
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761910
1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 116761834) is 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCOC1(C(Cc2ncnn2C)NC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is YVNABQXEQSATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-18-13(7-5-6-8-13)11(14-2)9-12-15-10-16-17(12)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 116761834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).