1-ethenoxybutan-2-amine

C6H13NO — CID 15041625

IUPAC1-ethenoxybutan-2-amine
SMILESC=COCC(N)CC
InChIInChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h4,6H,2-3,5,7H2,1H3
InChIKeyVSDMVRFSCLVCOF-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.88
Rot. Bonds4

About 1-ethenoxybutan-2-amine

1-ethenoxybutan-2-amine (PubChem CID 15041625) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethenoxybutan-2-amine.

Molecular Properties

Compound Name1-ethenoxybutan-2-amine
PubChem CID15041625
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-ethenoxybutan-2-amine
SMILESC=COCC(N)CC
InChIInChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h4,6H,2-3,5,7H2,1H3
InChIKeyVSDMVRFSCLVCOF-UHFFFAOYSA-N
XLogP0.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxybutan-2-amine?
The IUPAC name of 1-ethenoxybutan-2-amine (CID 15041625) is 1-ethenoxybutan-2-amine.
What is the SMILES notation for 1-ethenoxybutan-2-amine?
The canonical SMILES for 1-ethenoxybutan-2-amine is C=COCC(N)CC.
What is the InChIKey of 1-ethenoxybutan-2-amine?
The InChIKey is VSDMVRFSCLVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(7)5-8-4-2/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 1-ethenoxybutan-2-amine?
1-ethenoxybutan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxybutan-2-amine is sourced from PubChem (CID 15041625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).