N,N-dimethyl-1-(oxiran-2-yl)methanamine

C5H11NO — CID 10772937

IUPACN,N-dimethyl-1-(oxiran-2-yl)methanamine
SMILESCN(C)CC1CO1
InChIInChI=1S/C5H11NO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3
InChIKeyTWJYXMZUQAMMKA-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.05
Rot. Bonds2

About N,N-dimethyl-1-(oxiran-2-yl)methanamine

N,N-dimethyl-1-(oxiran-2-yl)methanamine (PubChem CID 10772937) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxiran-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxiran-2-yl)methanamine
PubChem CID10772937
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN,N-dimethyl-1-(oxiran-2-yl)methanamine
SMILESCN(C)CC1CO1
InChIInChI=1S/C5H11NO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3
InChIKeyTWJYXMZUQAMMKA-UHFFFAOYSA-N
XLogP-0.05
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
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 N,N-dimethyl-1-(oxiran-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)methanamine (CID 10772937) is N,N-dimethyl-1-(oxiran-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(oxiran-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(oxiran-2-yl)methanamine is CN(C)CC1CO1.
What is the InChIKey of N,N-dimethyl-1-(oxiran-2-yl)methanamine?
The InChIKey is TWJYXMZUQAMMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(oxiran-2-yl)methanamine?
N,N-dimethyl-1-(oxiran-2-yl)methanamine has a molecular weight of 101.15 g/mol, XLogP of -0.05, 2 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)methanamine is sourced from PubChem (CID 10772937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).