(E)-N-butoxyprop-1-en-1-amine

C7H15NO — CID 57028456

IUPAC(E)-N-butoxyprop-1-en-1-amine
SMILESC/C=C/NOCCCC
InChIInChI=1S/C7H15NO/c1-3-5-7-9-8-6-4-2/h4,6,8H,3,5,7H2,1-2H3/b6-4+
InChIKeyGTQSEIKBGYMHPA-GQCTYLIASA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds5

About (E)-N-butoxyprop-1-en-1-amine

(E)-N-butoxyprop-1-en-1-amine (PubChem CID 57028456) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-N-butoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-butoxyprop-1-en-1-amine
PubChem CID57028456
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-N-butoxyprop-1-en-1-amine
SMILESC/C=C/NOCCCC
InChIInChI=1S/C7H15NO/c1-3-5-7-9-8-6-4-2/h4,6,8H,3,5,7H2,1-2H3/b6-4+
InChIKeyGTQSEIKBGYMHPA-GQCTYLIASA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxyprop-1-en-1-amine?
The IUPAC name of (E)-N-butoxyprop-1-en-1-amine (CID 57028456) is (E)-N-butoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-N-butoxyprop-1-en-1-amine?
The canonical SMILES for (E)-N-butoxyprop-1-en-1-amine is C/C=C/NOCCCC.
What is the InChIKey of (E)-N-butoxyprop-1-en-1-amine?
The InChIKey is GTQSEIKBGYMHPA-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-7-9-8-6-4-2/h4,6,8H,3,5,7H2,1-2H3/b6-4+.
What are the key properties of (E)-N-butoxyprop-1-en-1-amine?
(E)-N-butoxyprop-1-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butoxyprop-1-en-1-amine is sourced from PubChem (CID 57028456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).