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

C17H33NO — CID 76755037

IUPAC2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
SMILESC=CCCCCCCC(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
InChIKeyPMJYDKIFSGQTTA-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.49
Rot. Bonds11

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

2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one (PubChem CID 76755037) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
PubChem CID76755037
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one
SMILESC=CCCCCCCC(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
InChIKeyPMJYDKIFSGQTTA-UHFFFAOYSA-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 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The IUPAC name of 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one (CID 76755037) is 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one.
What is the SMILES notation for 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The canonical SMILES for 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one is C=CCCCCCCC(C)(NC(C)C)C(=O)C(C)C.
What is the InChIKey of 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
The InChIKey is PMJYDKIFSGQTTA-UHFFFAOYSA-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.
What are the key properties of 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one?
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 2,4-dimethyl-4-(propan-2-ylamino)dodec-11-en-3-one is sourced from PubChem (CID 76755037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).