(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide

C12H22N2O — CID 71525237

IUPAC(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C12H22N2O/c1-10(2)5-4-6-11(3)9-12(15)14-8-7-13/h5,9H,4,6-8,13H2,1-3H3,(H,14,15)/b11-9+
InChIKeyAYXJXRGVIQNJNZ-PKNBQFBNSA-N
MW210.32 g/mol
LogP1.75
Rot. Bonds6

About (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide

(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide (PubChem CID 71525237) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
PubChem CID71525237
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C12H22N2O/c1-10(2)5-4-6-11(3)9-12(15)14-8-7-13/h5,9H,4,6-8,13H2,1-3H3,(H,14,15)/b11-9+
InChIKeyAYXJXRGVIQNJNZ-PKNBQFBNSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
CID 5275516
(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,6E)-N-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienamide
CID 5275518
(2e,7z)-N-isobutyl-2,7-decadienamide
CID 129848087

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide (CID 71525237) is (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide is CC(C)=CCC/C(C)=C/C(=O)NCCN.
What is the InChIKey of (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide?
The InChIKey is AYXJXRGVIQNJNZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)5-4-6-11(3)9-12(15)14-8-7-13/h5,9H,4,6-8,13H2,1-3H3,(H,14,15)/b11-9+.
What are the key properties of (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide?
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide has a molecular weight of 210.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 71525237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).