3-[(Z)-prop-1-enoxy]butan-1-amine

C7H15NO — CID 134485277

IUPAC3-[(Z)-prop-1-enoxy]butan-1-amine
SMILESC/C=C\OC(C)CCN
InChIInChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h3,6-7H,4-5,8H2,1-2H3/b6-3-
InChIKeyAIWKWGNZUANVEC-UTCJRWHESA-N
MW129.20 g/mol
LogP1.27
Rot. Bonds4

About 3-[(Z)-prop-1-enoxy]butan-1-amine

3-[(Z)-prop-1-enoxy]butan-1-amine (PubChem CID 134485277) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-[(Z)-prop-1-enoxy]butan-1-amine.

Molecular Properties

Compound Name3-[(Z)-prop-1-enoxy]butan-1-amine
PubChem CID134485277
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-[(Z)-prop-1-enoxy]butan-1-amine
SMILESC/C=C\OC(C)CCN
InChIInChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h3,6-7H,4-5,8H2,1-2H3/b6-3-
InChIKeyAIWKWGNZUANVEC-UTCJRWHESA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.27
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 3-[(Z)-prop-1-enoxy]butan-1-amine?
The IUPAC name of 3-[(Z)-prop-1-enoxy]butan-1-amine (CID 134485277) is 3-[(Z)-prop-1-enoxy]butan-1-amine.
What is the SMILES notation for 3-[(Z)-prop-1-enoxy]butan-1-amine?
The canonical SMILES for 3-[(Z)-prop-1-enoxy]butan-1-amine is C/C=C\OC(C)CCN.
What is the InChIKey of 3-[(Z)-prop-1-enoxy]butan-1-amine?
The InChIKey is AIWKWGNZUANVEC-UTCJRWHESA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-9-7(2)4-5-8/h3,6-7H,4-5,8H2,1-2H3/b6-3-.
What are the key properties of 3-[(Z)-prop-1-enoxy]butan-1-amine?
3-[(Z)-prop-1-enoxy]butan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-prop-1-enoxy]butan-1-amine is sourced from PubChem (CID 134485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).