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

C17H32N4 — CID 104999937

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1ncnc1CC(N)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H32N4/c1-13(2)10-17(7-5-6-8-17)15(18)9-16-19-12-20-21(16)11-14(3)4/h12-15H,5-11,18H2,1-4H3
InChIKeyIBNLQABTSGYDKM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.41
Rot. Bonds7

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

1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 104999937) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID104999937
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)Cn1ncnc1CC(N)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H32N4/c1-13(2)10-17(7-5-6-8-17)15(18)9-16-19-12-20-21(16)11-14(3)4/h12-15H,5-11,18H2,1-4H3
InChIKeyIBNLQABTSGYDKM-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 116765435
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
5,5-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-amine
CID 114211589
3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
CID 79063621
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol
CID 79862641
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000061

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 104999937) is 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CC(C)Cn1ncnc1CC(N)C1(CC(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is IBNLQABTSGYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)10-17(7-5-6-8-17)15(18)9-16-19-12-20-21(16)11-14(3)4/h12-15H,5-11,18H2,1-4H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 292.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 104999937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).