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

C13H24N4O — CID 104611168

IUPACN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1(OC)CCCC1
InChIInChI=1S/C13H24N4O/c1-4-14-11(9-12-15-10-16-17(12)2)13(18-3)7-5-6-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDIIQFMHHMHTTPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.29
Rot. Bonds6

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

N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104611168) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104611168
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)C1(OC)CCCC1
InChIInChI=1S/C13H24N4O/c1-4-14-11(9-12-15-10-16-17(12)2)13(18-3)7-5-6-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyDIIQFMHHMHTTPH-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

N-ethyl-1-(1-methoxycyclobutyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116714430
1-(1-ethoxycyclopentyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 116761834
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714555
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
1-N,1-N,3-N-triethyl-4-(2-methyl-1,2,4-triazol-3-yl)butane-1,3-diamine
CID 79086953
N,N-dimethyl-1-[1-(methylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 79066371
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104611168) is N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C)C1(OC)CCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is DIIQFMHHMHTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-14-11(9-12-15-10-16-17(12)2)13(18-3)7-5-6-8-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
N-ethyl-1-(1-methoxycyclopentyl)-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 N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104611168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).