N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide

C19H34N2O — CID 54133454

IUPACN-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN(C)C
InChIInChI=1S/C19H34N2O/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-19(22)20-13-14-21(5)6/h9,11,15H,7-8,10,12-14H2,1-6H3,(H,20,22)
InChIKeyNVZPLFJXZIDJGC-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.08
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide

N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide (PubChem CID 54133454) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
PubChem CID54133454
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN(C)C
InChIInChI=1S/C19H34N2O/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-19(22)20-13-14-21(5)6/h9,11,15H,7-8,10,12-14H2,1-6H3,(H,20,22)
InChIKeyNVZPLFJXZIDJGC-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E,10E,14E)-N-[2-(dimethylamino)ethyl]-3,7,11-trimethylheptadeca-2,6,10,14-tetraenamide
CID 21298059
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 72671792
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
CID 10473146
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide (CID 54133454) is N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide is CC(C)=CCCC(C)=CCCC(C)=CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide?
The InChIKey is NVZPLFJXZIDJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-19(22)20-13-14-21(5)6/h9,11,15H,7-8,10,12-14H2,1-6H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide?
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide has a molecular weight of 306.49 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 54133454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).