(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

C19H33NO — CID 46934066

IUPAC(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESCCCCN[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C
InChIInChI=1S/C19H33NO/c1-6-7-14-20-17-9-8-15(2)10-12-19(4,5)13-11-18(21)16(17)3/h10-11,13,16-17,20H,6-9,12,14H2,1-5H3/b13-11+,15-10+/t16-,17-/m1/s1
InChIKeyZHFMEJHXJUGNMP-IHUMOJNTSA-N
MW291.48 g/mol
LogP4.66
Rot. Bonds4

About (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one

(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (PubChem CID 46934066) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
PubChem CID46934066
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
SMILESCCCCN[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C
InChIInChI=1S/C19H33NO/c1-6-7-14-20-17-9-8-15(2)10-12-19(4,5)13-11-18(21)16(17)3/h10-11,13,16-17,20H,6-9,12,14H2,1-5H3/b13-11+,15-10+/t16-,17-/m1/s1
InChIKeyZHFMEJHXJUGNMP-IHUMOJNTSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.66
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'}

Analyze (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one with MolForge

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Related Compounds

N-butyl-N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 46934068
(2E,6E,10R,11R)-10-amino-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 46937360
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
CID 52941926
(2E,6E,10R,11R)-10-(dimethylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 52941964
(1S,5R)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-oxo-4-propan-2-ylspiro[4.5]deca-3,9-diene-1-carboxamide
CID 127042780
1-[(6S,8R,11R,12S,16S)-7,7,12,16-tetramethyl-6-(methylamino)-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3,14-trienyl]ethanone
CID 10523016
1-[7,7,12,16-Tetramethyl-6-(methylamino)-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3,14-trienyl]ethanone
CID 85170697
5-methyl-2-[[(E)-octadec-9-enyl]amino]heptan-4-one
CID 11646865
1-(6-Azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036866
3-[1-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320203
6-[1-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320254
5-[1-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320344

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The IUPAC name of (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one (CID 46934066) is (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one.
What is the SMILES notation for (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The canonical SMILES for (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is CCCCN[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C.
What is the InChIKey of (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
The InChIKey is ZHFMEJHXJUGNMP-IHUMOJNTSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-7-14-20-17-9-8-15(2)10-12-19(4,5)13-11-18(21)16(17)3/h10-11,13,16-17,20H,6-9,12,14H2,1-5H3/b13-11+,15-10+/t16-,17-/m1/s1.
What are the key properties of (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one?
(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one has a molecular weight of 291.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one is sourced from PubChem (CID 46934066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).