3-but-1-enoxy-N,N-dimethylpropan-1-amine

C9H19NO — CID 87106495

IUPAC3-but-1-enoxy-N,N-dimethylpropan-1-amine
SMILESCCC=COCCCN(C)C
InChIInChI=1S/C9H19NO/c1-4-5-8-11-9-6-7-10(2)3/h5,8H,4,6-7,9H2,1-3H3
InChIKeyRYIRQZQFRXGZNJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.88
Rot. Bonds6

About 3-but-1-enoxy-N,N-dimethylpropan-1-amine

3-but-1-enoxy-N,N-dimethylpropan-1-amine (PubChem CID 87106495) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-but-1-enoxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-but-1-enoxy-N,N-dimethylpropan-1-amine
PubChem CID87106495
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-but-1-enoxy-N,N-dimethylpropan-1-amine
SMILESCCC=COCCCN(C)C
InChIInChI=1S/C9H19NO/c1-4-5-8-11-9-6-7-10(2)3/h5,8H,4,6-7,9H2,1-3H3
InChIKeyRYIRQZQFRXGZNJ-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enoxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-but-1-enoxy-N,N-dimethylpropan-1-amine (CID 87106495) is 3-but-1-enoxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-but-1-enoxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-but-1-enoxy-N,N-dimethylpropan-1-amine is CCC=COCCCN(C)C.
What is the InChIKey of 3-but-1-enoxy-N,N-dimethylpropan-1-amine?
The InChIKey is RYIRQZQFRXGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-8-11-9-6-7-10(2)3/h5,8H,4,6-7,9H2,1-3H3.
What are the key properties of 3-but-1-enoxy-N,N-dimethylpropan-1-amine?
3-but-1-enoxy-N,N-dimethylpropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enoxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 87106495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).