(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide

C20H34N2O — CID 130284950

IUPAC(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide
SMILESCCCCNC1CC/C(C)=C/C=C(C(N)=O)\C=C\C1(CC)CC
InChIInChI=1S/C20H34N2O/c1-5-8-15-22-18-12-10-16(4)9-11-17(19(21)23)13-14-20(18,6-2)7-3/h9,11,13-14,18,22H,5-8,10,12,15H2,1-4H3,(H2,21,23)/b14-13+,16-9+,17-11+
InChIKeyWELBTYAIKWJVNU-XASLPKRTSA-N
MW318.50 g/mol
LogP4.26
Rot. Bonds7

About (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide

(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide (PubChem CID 130284950) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide.

Molecular Properties

Compound Name(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide
PubChem CID130284950
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide
SMILESCCCCNC1CC/C(C)=C/C=C(C(N)=O)\C=C\C1(CC)CC
InChIInChI=1S/C20H34N2O/c1-5-8-15-22-18-12-10-16(4)9-11-17(19(21)23)13-14-20(18,6-2)7-3/h9,11,13-14,18,22H,5-8,10,12,15H2,1-4H3,(H2,21,23)/b14-13+,16-9+,17-11+
InChIKeyWELBTYAIKWJVNU-XASLPKRTSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide with MolForge

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Related Compounds

(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
CID 89370535
N-butyl-2,2-dimethylcyclopropan-1-amine
CID 61223200
[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl] pentyl carbonate
CID 89177707
ethyl 3-(butylamino)-2-oxocyclohexane-1-carboxylate
CID 143790113
2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzamide;2,4-dihydroxy-3-(3-methylcyclohex-2-en-1-yl)-6-pentylbenzoic acid
CID 167689119
(6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-amino-3-methylbutanoate
CID 46190762
acetamide;N-butylbutan-1-amine
CID 172792447
[3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylphenyl] pentyl carbonate
CID 167605581
5-amino-2-[butyl(cyclopropyl)amino]benzamide
CID 61443918
[(1R,4S,5R,8S,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-butylcarbamate
CID 98134018
(4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl N-butylcarbamate
CID 3707716
[3-carbamoyloxy-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentylphenyl] acetate
CID 89204178

Frequently Asked Questions

What is the IUPAC name of (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide?
The IUPAC name of (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide (CID 130284950) is (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide.
What is the SMILES notation for (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide?
The canonical SMILES for (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide is CCCCNC1CC/C(C)=C/C=C(C(N)=O)\C=C\C1(CC)CC.
What is the InChIKey of (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide?
The InChIKey is WELBTYAIKWJVNU-XASLPKRTSA-N. The full InChI is InChI=1S/C20H34N2O/c1-5-8-15-22-18-12-10-16(4)9-11-17(19(21)23)13-14-20(18,6-2)7-3/h9,11,13-14,18,22H,5-8,10,12,15H2,1-4H3,(H2,21,23)/b14-13+,16-9+,17-11+.
What are the key properties of (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide?
(1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide has a molecular weight of 318.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,9E)-7-(butylamino)-8,8-diethyl-4-methylcyclodeca-1,3,9-triene-1-carboxamide is sourced from PubChem (CID 130284950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).