N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine

C13H24N4 — CID 55107731

IUPACN-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nncn1C1CCCC1
InChIInChI=1S/C13H24N4/c1-13(2,3)14-9-8-12-16-15-10-17(12)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyHUHAHXKQFVNLCE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 55107731) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID55107731
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1nncn1C1CCCC1
InChIInChI=1S/C13H24N4/c1-13(2,3)14-9-8-12-16-15-10-17(12)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyHUHAHXKQFVNLCE-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine (CID 55107731) is N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1nncn1C1CCCC1.
What is the InChIKey of N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is HUHAHXKQFVNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)14-9-8-12-16-15-10-17(12)11-6-4-5-7-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55107731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).