2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine

C11H24N2O — CID 141357938

IUPAC2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine
SMILESCCCC(CN)CC(CN)CC1CO1
InChIInChI=1S/C11H24N2O/c1-2-3-9(6-12)4-10(7-13)5-11-8-14-11/h9-11H,2-8,12-13H2,1H3
InChIKeyLFQAZJNSFOKOJE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.12
Rot. Bonds8

About 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine

2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine (PubChem CID 141357938) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine
PubChem CID141357938
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine
SMILESCCCC(CN)CC(CN)CC1CO1
InChIInChI=1S/C11H24N2O/c1-2-3-9(6-12)4-10(7-13)5-11-8-14-11/h9-11H,2-8,12-13H2,1H3
InChIKeyLFQAZJNSFOKOJE-UHFFFAOYSA-N
XLogP1.12
TPSA64.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine?
The IUPAC name of 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine (CID 141357938) is 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine is CCCC(CN)CC(CN)CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine?
The InChIKey is LFQAZJNSFOKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-9(6-12)4-10(7-13)5-11-8-14-11/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine?
2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-4-propylpentane-1,5-diamine is sourced from PubChem (CID 141357938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).