(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene

C19H36N2O — CID 143125755

IUPAC(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene
SMILESC=C(C)C(C)NC(=O)[C@H](C)N.CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H20.C8H16N2O/c1-5-7-11(4)9-6-8-10(2)3;1-5(2)7(4)10-8(11)6(3)9/h7-8H,5-6,9H2,1-4H3;6-7H,1,9H2,2-4H3,(H,10,11)/b11-7+;/t;6-,7?/m.0/s1
InChIKeyLFYOWWSKNVWORF-USOHFTFTSA-N
MW308.51 g/mol
LogP4.50
Rot. Bonds7

About (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene

(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene (PubChem CID 143125755) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene
PubChem CID143125755
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene
SMILESC=C(C)C(C)NC(=O)[C@H](C)N.CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H20.C8H16N2O/c1-5-7-11(4)9-6-8-10(2)3;1-5(2)7(4)10-8(11)6(3)9/h7-8H,5-6,9H2,1-4H3;6-7H,1,9H2,2-4H3,(H,10,11)/b11-7+;/t;6-,7?/m.0/s1
InChIKeyLFYOWWSKNVWORF-USOHFTFTSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene with MolForge

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Related Compounds

(2E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 60168614
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
2-azido-N-(2,6-dimethylocta-2,6-dienyl)acetamide
CID 91805360
(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 44756928
N-[2-Acetylamino-4,8,12-trimethyl-1-(2,6,10-trimethyl-undeca-1,5,9-trienyl)-trideca-3,7,11-trienyl]-acetamide
CID 5366118
N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 10656024
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 11637078
(2E,6E,10E)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene?
The IUPAC name of (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene (CID 143125755) is (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene is C=C(C)C(C)NC(=O)[C@H](C)N.CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene?
The InChIKey is LFYOWWSKNVWORF-USOHFTFTSA-N. The full InChI is InChI=1S/C11H20.C8H16N2O/c1-5-7-11(4)9-6-8-10(2)3;1-5(2)7(4)10-8(11)6(3)9/h7-8H,5-6,9H2,1-4H3;6-7H,1,9H2,2-4H3,(H,10,11)/b11-7+;/t;6-,7?/m.0/s1.
What are the key properties of (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene?
(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene has a molecular weight of 308.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 143125755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).