2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one

C15H29NO — CID 90351471

IUPAC2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
SMILESC=CCCCC(C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C15H29NO/c1-8-9-10-11-15(6,14(17)12(2)3)16(7)13(4)5/h8,12-13H,1,9-11H2,2-7H3
InChIKeyZYWIIVHSARXTIY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds8

About 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one

2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one (PubChem CID 90351471) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
PubChem CID90351471
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
SMILESC=CCCCC(C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C15H29NO/c1-8-9-10-11-15(6,14(17)12(2)3)16(7)13(4)5/h8,12-13H,1,9-11H2,2-7H3
InChIKeyZYWIIVHSARXTIY-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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

2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 90351457
(Z)-2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-prop-2-enyldodec-6-ene-3,10-dione
CID 118300534
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
4-but-3-enyl-2-methyl-4-[methyl(propan-2-yl)amino]oct-7-en-3-one;3-(dimethylamino)-3-hex-5-enylnon-8-en-2-one;4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-oct-7-enyldodec-11-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one;2-methyl-4-[methyl(propan-2-yl)amino]-4-prop-2-enylhept-6-en-3-one
CID 158598333
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
2,4-dimethyl-6-[2-methyl-4-(2-methylpropanoyl)-4-[methyl(propan-2-yl)amino]cyclopenten-1-yl]-4-[methyl(propan-2-yl)amino]hexan-3-one
CID 162282800
CID 160580484
CID 160580484
5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
CID 44720477
2-bromo-2-methylhept-6-enoic acid
CID 14195750
(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
CID 155337272
(2S)-N,N,2-trimethylhept-6-enamide
CID 89146514
2,2-dimethylhept-6-en-1-ol
CID 12063159

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The IUPAC name of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one (CID 90351471) is 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one.
What is the SMILES notation for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The canonical SMILES for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one is C=CCCCC(C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The InChIKey is ZYWIIVHSARXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-8-9-10-11-15(6,14(17)12(2)3)16(7)13(4)5/h8,12-13H,1,9-11H2,2-7H3.
What are the key properties of 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one is sourced from PubChem (CID 90351471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).