2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine

C8H17NO — CID 90726362

IUPAC2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CO1
InChIInChI=1S/C8H17NO/c1-3-7(2)4-9-5-8-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyVRRAUUSYJIMFEX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds5

About 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine

2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine (PubChem CID 90726362) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine
PubChem CID90726362
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine
SMILESCCC(C)CNCC1CO1
InChIInChI=1S/C8H17NO/c1-3-7(2)4-9-5-8-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyVRRAUUSYJIMFEX-UHFFFAOYSA-N
XLogP1.02
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
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-N-(oxiran-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine (CID 90726362) is 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine is CCC(C)CNCC1CO1.
What is the InChIKey of 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine?
The InChIKey is VRRAUUSYJIMFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7(2)4-9-5-8-6-10-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine?
2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxiran-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 90726362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).