(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one

C16H31NO — CID 118300537

IUPAC(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
SMILESC=CCCCC[C@](C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3/t16-/m1/s1
InChIKeyGZJXOCYNXUTRNT-MRXNPFEDSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds9

About (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one

(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one (PubChem CID 118300537) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
PubChem CID118300537
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
SMILESC=CCCCC[C@](C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3/t16-/m1/s1
InChIKeyGZJXOCYNXUTRNT-MRXNPFEDSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.06
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

(2S)-2-[but-3-enyl(propan-2-yl)amino]-1-(4,4-difluorocyclohexyl)-4-methylpentan-3-one
CID 171576069
(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)-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-[(3Z)-7-methyl-7-azabicyclo[4.2.2]dec-3-en-8-yl]ethanone
CID 59400952
1-(7-Methyl-7-azabicyclo[4.2.2]dec-3-en-8-yl)ethanone
CID 72274057
2,4-Dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
CID 76755037

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
The IUPAC name of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one (CID 118300537) is (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one.
What is the SMILES notation for (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
The canonical SMILES for (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one is C=CCCCC[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]dec-9-en-3-one?
The InChIKey is GZJXOCYNXUTRNT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H31NO/c1-8-9-10-11-12-16(6,15(18)13(2)3)17(7)14(4)5/h8,13-14H,1,9-12H2,2-7H3/t16-/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one?
(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one has a molecular weight of 253.43 g/mol, XLogP of 4.06, 9 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]dec-9-en-3-one is sourced from PubChem (CID 118300537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).