6-[bis(prop-2-enyl)amino]octan-2-one

C14H25NO — CID 87692143

IUPAC6-[bis(prop-2-enyl)amino]octan-2-one
SMILESC=CCN(CC=C)C(CC)CCCC(C)=O
InChIInChI=1S/C14H25NO/c1-5-11-15(12-6-2)14(7-3)10-8-9-13(4)16/h5-6,14H,1-2,7-12H2,3-4H3
InChIKeyIQOHVVSVGWMNTH-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.20
Rot. Bonds10

About 6-[bis(prop-2-enyl)amino]octan-2-one

6-[bis(prop-2-enyl)amino]octan-2-one (PubChem CID 87692143) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]octan-2-one.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]octan-2-one
PubChem CID87692143
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-[bis(prop-2-enyl)amino]octan-2-one
SMILESC=CCN(CC=C)C(CC)CCCC(C)=O
InChIInChI=1S/C14H25NO/c1-5-11-15(12-6-2)14(7-3)10-8-9-13(4)16/h5-6,14H,1-2,7-12H2,3-4H3
InChIKeyIQOHVVSVGWMNTH-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]octan-2-one?
The IUPAC name of 6-[bis(prop-2-enyl)amino]octan-2-one (CID 87692143) is 6-[bis(prop-2-enyl)amino]octan-2-one.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]octan-2-one?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]octan-2-one is C=CCN(CC=C)C(CC)CCCC(C)=O.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]octan-2-one?
The InChIKey is IQOHVVSVGWMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-11-15(12-6-2)14(7-3)10-8-9-13(4)16/h5-6,14H,1-2,7-12H2,3-4H3.
What are the key properties of 6-[bis(prop-2-enyl)amino]octan-2-one?
6-[bis(prop-2-enyl)amino]octan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]octan-2-one is sourced from PubChem (CID 87692143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).