N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine

C11H20N2O — CID 123324320

IUPACN'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESC=C(C=CC(=C)N(C)CCNC)OC
InChIInChI=1S/C11H20N2O/c1-10(6-7-11(2)14-5)13(4)9-8-12-3/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyWRQGJGWFCZRJGR-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.37
Rot. Bonds7

About N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine

N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 123324320) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID123324320
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESC=C(C=CC(=C)N(C)CCNC)OC
InChIInChI=1S/C11H20N2O/c1-10(6-7-11(2)14-5)13(4)9-8-12-3/h6-7,12H,1-2,8-9H2,3-5H3
InChIKeyWRQGJGWFCZRJGR-UHFFFAOYSA-N
XLogP1.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
CID 146561503
1-[(2E,4Z)-6-(trifluoromethoxy)hepta-2,4,6-trien-3-yl]piperazine
CID 155274268
4-N,5-N-dipropyl-2H-pyran-4,5-diamine
CID 23374279
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine
CID 126583912
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 129055643
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
(3Z)-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 132001281
(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
CID 134334067
(2E)-N-ethyl-4-methoxypenta-2,4-dien-2-amine
CID 134334192

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 123324320) is N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine is C=C(C=CC(=C)N(C)CCNC)OC.
What is the InChIKey of N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WRQGJGWFCZRJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10(6-7-11(2)14-5)13(4)9-8-12-3/h6-7,12H,1-2,8-9H2,3-5H3.
What are the key properties of N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 123324320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).