N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine

C8H15NO — CID 174623165

IUPACN,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine
SMILESC=CC(CC1CO1)N(C)C
InChIInChI=1S/C8H15NO/c1-4-7(9(2)3)5-8-6-10-8/h4,7-8H,1,5-6H2,2-3H3
InChIKeyZEJMSTFPBSWNCX-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.89
Rot. Bonds4

About N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine

N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine (PubChem CID 174623165) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine
PubChem CID174623165
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine
SMILESC=CC(CC1CO1)N(C)C
InChIInChI=1S/C8H15NO/c1-4-7(9(2)3)5-8-6-10-8/h4,7-8H,1,5-6H2,2-3H3
InChIKeyZEJMSTFPBSWNCX-UHFFFAOYSA-N
XLogP0.89
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine?
The IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine (CID 174623165) is N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine?
The canonical SMILES for N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine is C=CC(CC1CO1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine?
The InChIKey is ZEJMSTFPBSWNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(9(2)3)5-8-6-10-8/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine?
N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine has a molecular weight of 141.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(oxiran-2-yl)but-3-en-2-amine is sourced from PubChem (CID 174623165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).