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

C14H26N4 — CID 104997606

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)CC1(C(N)Cc2ncnn2C)CCCC1
InChIInChI=1S/C14H26N4/c1-11(2)9-14(6-4-5-7-14)12(15)8-13-16-10-17-18(13)3/h10-12H,4-9,15H2,1-3H3
InChIKeyIITDQFFDJAWIEN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds5

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

1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997606) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997606
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)CC1(C(N)Cc2ncnn2C)CCCC1
InChIInChI=1S/C14H26N4/c1-11(2)9-14(6-4-5-7-14)12(15)8-13-16-10-17-18(13)3/h10-12H,4-9,15H2,1-3H3
InChIKeyIITDQFFDJAWIEN-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997606) is 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CC(C)CC1(C(N)Cc2ncnn2C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is IITDQFFDJAWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)9-14(6-4-5-7-14)12(15)8-13-16-10-17-18(13)3/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.29, 5 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-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).