3-amino-N,N-dimethylpropan-1-amine oxide

C5H14N2O — CID 54151234

IUPAC3-amino-N,N-dimethylpropan-1-amine oxide
SMILESC[N+](C)([O-])CCCN
InChIInChI=1S/C5H14N2O/c1-7(2,8)5-3-4-6/h3-6H2,1-2H3
InChIKeyOHWPOYXBOSNTBK-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.09
Rot. Bonds3

About 3-amino-N,N-dimethylpropan-1-amine oxide

3-amino-N,N-dimethylpropan-1-amine oxide (PubChem CID 54151234) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 3-amino-N,N-dimethylpropan-1-amine oxide.

Molecular Properties

Compound Name3-amino-N,N-dimethylpropan-1-amine oxide
PubChem CID54151234
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name3-amino-N,N-dimethylpropan-1-amine oxide
SMILESC[N+](C)([O-])CCCN
InChIInChI=1S/C5H14N2O/c1-7(2,8)5-3-4-6/h3-6H2,1-2H3
InChIKeyOHWPOYXBOSNTBK-UHFFFAOYSA-N
XLogP-0.09
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylpropan-1-amine oxide?
The IUPAC name of 3-amino-N,N-dimethylpropan-1-amine oxide (CID 54151234) is 3-amino-N,N-dimethylpropan-1-amine oxide.
What is the SMILES notation for 3-amino-N,N-dimethylpropan-1-amine oxide?
The canonical SMILES for 3-amino-N,N-dimethylpropan-1-amine oxide is C[N+](C)([O-])CCCN.
What is the InChIKey of 3-amino-N,N-dimethylpropan-1-amine oxide?
The InChIKey is OHWPOYXBOSNTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-7(2,8)5-3-4-6/h3-6H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethylpropan-1-amine oxide?
3-amino-N,N-dimethylpropan-1-amine oxide has a molecular weight of 118.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylpropan-1-amine oxide is sourced from PubChem (CID 54151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).