3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine

C14H29NO — CID 87106176

IUPAC3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine
SMILESCCC=C(C)OCCCN(CCC)CCC
InChIInChI=1S/C14H29NO/c1-5-9-14(4)16-13-8-12-15(10-6-2)11-7-3/h9H,5-8,10-13H2,1-4H3
InChIKeyIAZMAXCDKFWGTK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.83
Rot. Bonds10

About 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine

3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine (PubChem CID 87106176) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine
PubChem CID87106176
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine
SMILESCCC=C(C)OCCCN(CCC)CCC
InChIInChI=1S/C14H29NO/c1-5-9-14(4)16-13-8-12-15(10-6-2)11-7-3/h9H,5-8,10-13H2,1-4H3
InChIKeyIAZMAXCDKFWGTK-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.83
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-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine (CID 87106176) is 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine is CCC=C(C)OCCCN(CCC)CCC.
What is the InChIKey of 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine?
The InChIKey is IAZMAXCDKFWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-14(4)16-13-8-12-15(10-6-2)11-7-3/h9H,5-8,10-13H2,1-4H3.
What are the key properties of 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine?
3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-2-en-2-yloxy-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 87106176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).