2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine

C14H27N3O — CID 54346570

IUPAC2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
SMILESCOC(=C\C(C)=C(C)C)/C=C/CN(C)CC(N)N
InChIInChI=1S/C14H27N3O/c1-11(2)12(3)9-13(18-5)7-6-8-17(4)10-14(15)16/h6-7,9,14H,8,10,15-16H2,1-5H3/b7-6+,13-9-
InChIKeyUCSAPFMAKNCWHO-PXBDENQTSA-N
MW253.39 g/mol
LogP1.60
Rot. Bonds7

About 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine

2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine (PubChem CID 54346570) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine.

Molecular Properties

Compound Name2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
PubChem CID54346570
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
SMILESCOC(=C\C(C)=C(C)C)/C=C/CN(C)CC(N)N
InChIInChI=1S/C14H27N3O/c1-11(2)12(3)9-13(18-5)7-6-8-17(4)10-14(15)16/h6-7,9,14H,8,10,15-16H2,1-5H3/b7-6+,13-9-
InChIKeyUCSAPFMAKNCWHO-PXBDENQTSA-N
XLogP1.60
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine with MolForge

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Related Compounds

(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619
(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
CID 129209911
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
methyl 2-[[(E)-4-(4-ethenylanilino)-4-oxobut-2-enyl]-methylamino]acetate
CID 144832754
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
CID 76940071
2-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylpropan-1-amine
CID 107901100
N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
CID 107900993
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
CID 107901004
(E)-N-(2-chloro-3-methoxypropyl)-N-methylbut-2-en-1-amine
CID 107897678
2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
CID 142876722

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine?
The IUPAC name of 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine (CID 54346570) is 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine.
What is the SMILES notation for 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine?
The canonical SMILES for 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine is COC(=C\C(C)=C(C)C)/C=C/CN(C)CC(N)N.
What is the InChIKey of 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine?
The InChIKey is UCSAPFMAKNCWHO-PXBDENQTSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)12(3)9-13(18-5)7-6-8-17(4)10-14(15)16/h6-7,9,14H,8,10,15-16H2,1-5H3/b7-6+,13-9-.
What are the key properties of 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine?
2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine has a molecular weight of 253.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine is sourced from PubChem (CID 54346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).