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

C13H27NO — CID 87106816

IUPAC3-but-1-enoxy-N,N-dipropylpropan-1-amine
SMILESCCC=COCCCN(CCC)CCC
InChIInChI=1S/C13H27NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h7,12H,4-6,8-11,13H2,1-3H3
InChIKeyYSWCURNEZYKLPW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.44
Rot. Bonds10

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

3-but-1-enoxy-N,N-dipropylpropan-1-amine (PubChem CID 87106816) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-but-1-enoxy-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-but-1-enoxy-N,N-dipropylpropan-1-amine
PubChem CID87106816
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-but-1-enoxy-N,N-dipropylpropan-1-amine
SMILESCCC=COCCCN(CCC)CCC
InChIInChI=1S/C13H27NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h7,12H,4-6,8-11,13H2,1-3H3
InChIKeyYSWCURNEZYKLPW-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.44
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-dipropylpropan-1-amine?
The IUPAC name of 3-but-1-enoxy-N,N-dipropylpropan-1-amine (CID 87106816) is 3-but-1-enoxy-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-but-1-enoxy-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-but-1-enoxy-N,N-dipropylpropan-1-amine is CCC=COCCCN(CCC)CCC.
What is the InChIKey of 3-but-1-enoxy-N,N-dipropylpropan-1-amine?
The InChIKey is YSWCURNEZYKLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h7,12H,4-6,8-11,13H2,1-3H3.
What are the key properties of 3-but-1-enoxy-N,N-dipropylpropan-1-amine?
3-but-1-enoxy-N,N-dipropylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.44, 10 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-dipropylpropan-1-amine is sourced from PubChem (CID 87106816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).