(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide

C18H34N2O — CID 44756928

IUPAC(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C18H34N2O/c1-14(2)9-8-10-17(7)13-18(21)19-11-12-20(15(3)4)16(5)6/h9,13,15-16H,8,10-12H2,1-7H3,(H,19,21)/b17-13+
InChIKeyLVNLEHMLCIYXDN-GHRIWEEISA-N
MW294.48 g/mol
LogP3.91
Rot. Bonds9

About (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide

(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 44756928) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
PubChem CID44756928
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C18H34N2O/c1-14(2)9-8-10-17(7)13-18(21)19-11-12-20(15(3)4)16(5)6/h9,13,15-16H,8,10-12H2,1-7H3,(H,19,21)/b17-13+
InChIKeyLVNLEHMLCIYXDN-GHRIWEEISA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.91
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

3-aminopropyl-[4-[dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azaniumyl]butyl]-dimethylazanium
CID 10009494
4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
(2E)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168612
(2E)-N-[3-(3-aminopropylamino)propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168613
(2E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 60168614
(2E)-N-[3-[bis(3-aminopropyl)amino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168615
(2E)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168616
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
(2E,6E)-N-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienamide
CID 5275518
3-aminopropyl-[4-[dimethyl-[3-[[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azaniumyl]butyl]-dimethylazanium
CID 10628075
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide (CID 44756928) is (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C/C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is LVNLEHMLCIYXDN-GHRIWEEISA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)9-8-10-17(7)13-18(21)19-11-12-20(15(3)4)16(5)6/h9,13,15-16H,8,10-12H2,1-7H3,(H,19,21)/b17-13+.
What are the key properties of (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide?
(2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide has a molecular weight of 294.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-[di(propan-2-yl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 44756928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).