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

C14H25NO — CID 87692142

IUPAC3-[bis(prop-2-enyl)amino]octan-2-one
SMILESC=CCN(CC=C)C(CCCCC)C(C)=O
InChIInChI=1S/C14H25NO/c1-5-8-9-10-14(13(4)16)15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-12H2,1,4H3
InChIKeyYRCPXFQMYLDWBZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.20
Rot. Bonds10

About 3-[bis(prop-2-enyl)amino]octan-2-one

3-[bis(prop-2-enyl)amino]octan-2-one (PubChem CID 87692142) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]octan-2-one.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]octan-2-one
PubChem CID87692142
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-[bis(prop-2-enyl)amino]octan-2-one
SMILESC=CCN(CC=C)C(CCCCC)C(C)=O
InChIInChI=1S/C14H25NO/c1-5-8-9-10-14(13(4)16)15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-12H2,1,4H3
InChIKeyYRCPXFQMYLDWBZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Bis(prop-2-enyl)azocan-3-one
CID 86179193
(3S)-3-piperidin-1-yldec-9-en-2-one
CID 59578332
6-[Bis(prop-2-enyl)amino]octan-2-one
CID 87692143
4-(Dimethylamino)undec-1-en-3-one
CID 88520222
1-[Bis(prop-2-enyl)amino]octan-3-one
CID 89786527
1,2-Dimethyl-4-pent-4-enylazetidin-3-one;ethane
CID 153580117
1-[Bis(prop-2-enyl)amino]docosan-3-one
CID 165051041
2,3-Dioxoicosyl-dimethyl-prop-2-enylazanium chloride
CID 174396189
Ethyl-methyl-(2-oxoheptadecyl)-prop-2-enylazanium chloride
CID 174486117
3-(Prop-2-enylamino)heptan-2-one
CID 174652441
Ethyl-methyl-(2-oxononadecyl)-prop-2-enylazanium chloride
CID 174653204
Dimethyl-(21-oxodocosan-2-yl)-prop-2-enylazanium
CID 174690593

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]octan-2-one?
The IUPAC name of 3-[bis(prop-2-enyl)amino]octan-2-one (CID 87692142) is 3-[bis(prop-2-enyl)amino]octan-2-one.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]octan-2-one?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]octan-2-one is C=CCN(CC=C)C(CCCCC)C(C)=O.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]octan-2-one?
The InChIKey is YRCPXFQMYLDWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-8-9-10-14(13(4)16)15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-12H2,1,4H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]octan-2-one?
3-[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 3-[bis(prop-2-enyl)amino]octan-2-one is sourced from PubChem (CID 87692142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).