2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine

C9H19NO — CID 19357634

IUPAC2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine
SMILESCCC(CC1CO1)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-4-7(9(2,3)10)5-8-6-11-8/h7-8H,4-6,10H2,1-3H3
InChIKeyCLUVTJDUCZUICZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine

2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine (PubChem CID 19357634) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine
PubChem CID19357634
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine
SMILESCCC(CC1CO1)C(C)(C)N
InChIInChI=1S/C9H19NO/c1-4-7(9(2,3)10)5-8-6-11-8/h7-8H,4-6,10H2,1-3H3
InChIKeyCLUVTJDUCZUICZ-UHFFFAOYSA-N
XLogP1.54
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
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 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine?
The IUPAC name of 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine (CID 19357634) is 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine is CCC(CC1CO1)C(C)(C)N.
What is the InChIKey of 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine?
The InChIKey is CLUVTJDUCZUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7(9(2,3)10)5-8-6-11-8/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine?
2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxiran-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 19357634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).