N-(oxiran-2-ylmethyl)butan-2-amine

C7H15NO — CID 55299110

IUPACN-(oxiran-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CO1
InChIInChI=1S/C7H15NO/c1-3-6(2)8-4-7-5-9-7/h6-8H,3-5H2,1-2H3
InChIKeyFISGQQVJZJDIPM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds4

About N-(oxiran-2-ylmethyl)butan-2-amine

N-(oxiran-2-ylmethyl)butan-2-amine (PubChem CID 55299110) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)butan-2-amine
PubChem CID55299110
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(oxiran-2-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CO1
InChIInChI=1S/C7H15NO/c1-3-6(2)8-4-7-5-9-7/h6-8H,3-5H2,1-2H3
InChIKeyFISGQQVJZJDIPM-UHFFFAOYSA-N
XLogP0.77
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(oxiran-2-ylmethyl)butan-2-amine?
The IUPAC name of N-(oxiran-2-ylmethyl)butan-2-amine (CID 55299110) is N-(oxiran-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(oxiran-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-(oxiran-2-ylmethyl)butan-2-amine is CCC(C)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)butan-2-amine?
The InChIKey is FISGQQVJZJDIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6(2)8-4-7-5-9-7/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(oxiran-2-ylmethyl)butan-2-amine?
N-(oxiran-2-ylmethyl)butan-2-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 55299110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).