3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one

C15H29NO — CID 155448055

IUPAC3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one
SMILESC=C(C)CC(C)NCCC(C)CC(C)C(C)=O
InChIInChI=1S/C15H29NO/c1-11(2)9-14(5)16-8-7-12(3)10-13(4)15(6)17/h12-14,16H,1,7-10H2,2-6H3
InChIKeyBNSZYOWWDYKCCU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.57
Rot. Bonds9

About 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one

3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one (PubChem CID 155448055) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one.

Molecular Properties

Compound Name3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one
PubChem CID155448055
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one
SMILESC=C(C)CC(C)NCCC(C)CC(C)C(C)=O
InChIInChI=1S/C15H29NO/c1-11(2)9-14(5)16-8-7-12(3)10-13(4)15(6)17/h12-14,16H,1,7-10H2,2-6H3
InChIKeyBNSZYOWWDYKCCU-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one?
The IUPAC name of 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one (CID 155448055) is 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one.
What is the SMILES notation for 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one?
The canonical SMILES for 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one is C=C(C)CC(C)NCCC(C)CC(C)C(C)=O.
What is the InChIKey of 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one?
The InChIKey is BNSZYOWWDYKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)9-14(5)16-8-7-12(3)10-13(4)15(6)17/h12-14,16H,1,7-10H2,2-6H3.
What are the key properties of 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one?
3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-(4-methylpent-4-en-2-ylamino)heptan-2-one is sourced from PubChem (CID 155448055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).