1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one

C13H23NO — CID 62623498

IUPAC1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
SMILESC=CCN(CC=C)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyPULPDQYQMVXRSP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds7

About 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one

1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one (PubChem CID 62623498) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
PubChem CID62623498
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one
SMILESC=CCN(CC=C)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyPULPDQYQMVXRSP-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
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 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one (CID 62623498) is 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one is C=CCN(CC=C)CCC(=O)C(C)(C)C.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one?
The InChIKey is PULPDQYQMVXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-9-14(10-7-2)11-8-12(15)13(3,4)5/h6-7H,1-2,8-11H2,3-5H3.
What are the key properties of 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one?
1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 62623498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).