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

C15H29NO — CID 90351472

IUPAC(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
SMILESC=CCCC[C@](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/t15-/m1/s1
InChIKeyZYWIIVHSARXTIY-OAHLLOKOSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds8

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

(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one (PubChem CID 90351472) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
PubChem CID90351472
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
SMILESC=CCCC[C@](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/t15-/m1/s1
InChIKeyZYWIIVHSARXTIY-OAHLLOKOSA-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

(E,4S,5R,6R)-2,5,6-trimethyl-4-[methyl(propan-2-yl)amino]dec-8-en-3-one
CID 57682408
(4S)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
CID 58307943
(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
CID 58307947
2-Methyl-4-pent-4-enyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307951
(4S)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307974
(4R)-2,4-dimethyl-4-(propan-2-ylamino)non-8-en-3-one
CID 58307983
(2S)-1-methyl-2-[(E,3R)-3-methylhept-5-en-2-yl]piperidin-3-one
CID 58333057
(2S)-1-methyl-2-[(Z,3R)-3-methylhept-5-en-2-yl]piperidin-3-one
CID 58333060
(2S)-2-[(E,3R)-8,8-dideuterio-3-methyloct-5-en-2-yl]-1-methylpiperidin-3-one
CID 58333061
(2S)-1-methyl-2-[(E,3R)-9,9,9-trideuterio-3-methylnon-5-en-2-yl]piperidin-3-one
CID 58333064
1-(1-Tert-butyl-3-prop-2-enylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 58341336
1-(1-Methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone
CID 58850045

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The IUPAC name of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one (CID 90351472) is (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one.
What is the SMILES notation for (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The canonical SMILES for (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one is C=CCCC[C@](C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
The InChIKey is ZYWIIVHSARXTIY-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one?
(4R)-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 (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one is sourced from PubChem (CID 90351472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).