1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one

C19H35NO — CID 146568719

IUPAC1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one
SMILESC=CC(C)CC(C)(NC(C)C)C(=O)C1CCCCCCC1
InChIInChI=1S/C19H35NO/c1-6-16(4)14-19(5,20-15(2)3)18(21)17-12-10-8-7-9-11-13-17/h6,15-17,20H,1,7-14H2,2-5H3
InChIKeyYNBCBBOAUCODIJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.88
Rot. Bonds7

About 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one

1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one (PubChem CID 146568719) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one.

Molecular Properties

Compound Name1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one
PubChem CID146568719
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one
SMILESC=CC(C)CC(C)(NC(C)C)C(=O)C1CCCCCCC1
InChIInChI=1S/C19H35NO/c1-6-16(4)14-19(5,20-15(2)3)18(21)17-12-10-8-7-9-11-13-17/h6,15-17,20H,1,7-14H2,2-5H3
InChIKeyYNBCBBOAUCODIJ-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one?
The IUPAC name of 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one (CID 146568719) is 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one.
What is the SMILES notation for 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one?
The canonical SMILES for 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one is C=CC(C)CC(C)(NC(C)C)C(=O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one?
The InChIKey is YNBCBBOAUCODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-6-16(4)14-19(5,20-15(2)3)18(21)17-12-10-8-7-9-11-13-17/h6,15-17,20H,1,7-14H2,2-5H3.
What are the key properties of 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one?
1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one has a molecular weight of 293.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2,4-dimethyl-2-(propan-2-ylamino)hex-5-en-1-one is sourced from PubChem (CID 146568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).