1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C14H26N4O — CID 104610733

IUPAC1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOC1(C(N)Cc2ncnn2CC(C)C)CCCC1
InChIInChI=1S/C14H26N4O/c1-11(2)9-18-13(16-10-17-18)8-12(15)14(19-3)6-4-5-7-14/h10-12H,4-9,15H2,1-3H3
InChIKeyIYNWNHFQNCIDPV-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.76
Rot. Bonds6

About 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104610733) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104610733
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOC1(C(N)Cc2ncnn2CC(C)C)CCCC1
InChIInChI=1S/C14H26N4O/c1-11(2)9-18-13(16-10-17-18)8-12(15)14(19-3)6-4-5-7-14/h10-12H,4-9,15H2,1-3H3
InChIKeyIYNWNHFQNCIDPV-UHFFFAOYSA-N
XLogP1.76
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999937
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 116765435
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
1-(1-methoxy-4-methylcyclohexyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 116754610
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710450
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 104610733) is 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is COC1(C(N)Cc2ncnn2CC(C)C)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is IYNWNHFQNCIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-18-13(16-10-17-18)8-12(15)14(19-3)6-4-5-7-14/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104610733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).