(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one

C17H33NO — CID 58307947

IUPAC(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
SMILESC=CCCCCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C17H33NO/c1-7-8-9-10-11-12-13-17(6,18-15(4)5)16(19)14(2)3/h7,14-15,18H,1,8-13H2,2-6H3/t17-/m1/s1
InChIKeyPMJYDKIFSGQTTA-QGZVFWFLSA-N
MW267.46 g/mol
LogP4.49
Rot. Bonds11

About (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one

(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one (PubChem CID 58307947) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
PubChem CID58307947
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
SMILESC=CCCCCCC[C@@](C)(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C17H33NO/c1-7-8-9-10-11-12-13-17(6,18-15(4)5)16(19)14(2)3/h7,14-15,18H,1,8-13H2,2-6H3/t17-/m1/s1
InChIKeyPMJYDKIFSGQTTA-QGZVFWFLSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The IUPAC name of (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one (CID 58307947) is (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one.
What is the SMILES notation for (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The canonical SMILES for (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one is C=CCCCCCC[C@@](C)(NC(C)C)C(=O)C(C)C.
What is the InChIKey of (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The InChIKey is PMJYDKIFSGQTTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-8-9-10-11-12-13-17(6,18-15(4)5)16(19)14(2)3/h7,14-15,18H,1,8-13H2,2-6H3/t17-/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
(4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one has a molecular weight of 267.46 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one is sourced from PubChem (CID 58307947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).