3-methyl-N-(3-methylbutyl)oxiran-2-amine

C8H17NO — CID 139363039

IUPAC3-methyl-N-(3-methylbutyl)oxiran-2-amine
SMILESCC(C)CCNC1OC1C
InChIInChI=1S/C8H17NO/c1-6(2)4-5-9-8-7(3)10-8/h6-9H,4-5H2,1-3H3
InChIKeyDUYDQAKWZJFRKA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds4

About 3-methyl-N-(3-methylbutyl)oxiran-2-amine

3-methyl-N-(3-methylbutyl)oxiran-2-amine (PubChem CID 139363039) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)oxiran-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)oxiran-2-amine
PubChem CID139363039
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-N-(3-methylbutyl)oxiran-2-amine
SMILESCC(C)CCNC1OC1C
InChIInChI=1S/C8H17NO/c1-6(2)4-5-9-8-7(3)10-8/h6-9H,4-5H2,1-3H3
InChIKeyDUYDQAKWZJFRKA-UHFFFAOYSA-N
XLogP1.37
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
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 3-methyl-N-(3-methylbutyl)oxiran-2-amine?
The IUPAC name of 3-methyl-N-(3-methylbutyl)oxiran-2-amine (CID 139363039) is 3-methyl-N-(3-methylbutyl)oxiran-2-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)oxiran-2-amine?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)oxiran-2-amine is CC(C)CCNC1OC1C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)oxiran-2-amine?
The InChIKey is DUYDQAKWZJFRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)4-5-9-8-7(3)10-8/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)oxiran-2-amine?
3-methyl-N-(3-methylbutyl)oxiran-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)oxiran-2-amine is sourced from PubChem (CID 139363039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).