(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine

C10H19NO — CID 10855905

IUPAC(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine
SMILESC=CCN[C@H](CC(C)C)[C@@H]1CO1
InChIInChI=1S/C10H19NO/c1-4-5-11-9(6-8(2)3)10-7-12-10/h4,8-11H,1,5-7H2,2-3H3/t9-,10+/m1/s1
InChIKeySPQBVYLYGUIJKO-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds6

About (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine

(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine (PubChem CID 10855905) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine
PubChem CID10855905
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine
SMILESC=CCN[C@H](CC(C)C)[C@@H]1CO1
InChIInChI=1S/C10H19NO/c1-4-5-11-9(6-8(2)3)10-7-12-10/h4,8-11H,1,5-7H2,2-3H3/t9-,10+/m1/s1
InChIKeySPQBVYLYGUIJKO-ZJUUUORDSA-N
XLogP1.58
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine?
The IUPAC name of (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine (CID 10855905) is (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine?
The canonical SMILES for (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine is C=CCN[C@H](CC(C)C)[C@@H]1CO1.
What is the InChIKey of (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine?
The InChIKey is SPQBVYLYGUIJKO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-11-9(6-8(2)3)10-7-12-10/h4,8-11H,1,5-7H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine?
(1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-[(2R)-oxiran-2-yl]-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 10855905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).