4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one

C23H43NO — CID 90351470

IUPAC4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one
SMILESC=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C23H43NO/c1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2/h8-9,20-21H,1-2,10-19H2,3-7H3
InChIKeyCNCZBLDIOMZCEY-UHFFFAOYSA-N
MW349.60 g/mol
LogP6.56
Rot. Bonds16

About 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one

4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one (PubChem CID 90351470) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one.

Molecular Properties

Compound Name4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one
PubChem CID90351470
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one
SMILESC=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C
InChIInChI=1S/C23H43NO/c1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2/h8-9,20-21H,1-2,10-19H2,3-7H3
InChIKeyCNCZBLDIOMZCEY-UHFFFAOYSA-N
XLogP6.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 56.56
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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Frequently Asked Questions

What is the IUPAC name of 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one?
The IUPAC name of 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one (CID 90351470) is 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one.
What is the SMILES notation for 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one?
The canonical SMILES for 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one is C=CCCCCCC(CCCCCC=C)(C(=O)C(C)C)N(C)C(C)C.
What is the InChIKey of 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one?
The InChIKey is CNCZBLDIOMZCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO/c1-8-10-12-14-16-18-23(22(25)20(3)4,24(7)21(5)6)19-17-15-13-11-9-2/h8-9,20-21H,1-2,10-19H2,3-7H3.
What are the key properties of 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one?
4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one has a molecular weight of 349.60 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-6-enyl-2-methyl-4-[methyl(propan-2-yl)amino]undec-10-en-3-one is sourced from PubChem (CID 90351470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).