(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine

C12H21NO — CID 143866583

IUPAC(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)OC)CN(CC)CC
InChIInChI=1S/C12H21NO/c1-6-12(9-11(4)14-5)10-13(7-2)8-3/h6,9H,1,4,7-8,10H2,2-3,5H3/b12-9+
InChIKeyWYGKLDKIVOTAAE-FMIVXFBMSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds7

About (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine

(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine (PubChem CID 143866583) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine
PubChem CID143866583
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)OC)CN(CC)CC
InChIInChI=1S/C12H21NO/c1-6-12(9-11(4)14-5)10-13(7-2)8-3/h6,9H,1,4,7-8,10H2,2-3,5H3/b12-9+
InChIKeyWYGKLDKIVOTAAE-FMIVXFBMSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
(2E)-2-(1-fluoroethenyl)-3-methoxy-N,N-dimethylpenta-2,4-dien-1-amine
CID 144302515
(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
CID 54179767
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
5-Methoxy-3-methyl-1-(3-methylbut-2-en-2-yl)-2-methylidenepyridine
CID 129083849
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
3-tert-butyl-5-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 132132114
(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
CID 135234078
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
N,N-dimethyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-amine
CID 142554812

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine (CID 143866583) is (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine is C=C/C(=C\C(=C)OC)CN(CC)CC.
What is the InChIKey of (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine?
The InChIKey is WYGKLDKIVOTAAE-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-12(9-11(4)14-5)10-13(7-2)8-3/h6,9H,1,4,7-8,10H2,2-3,5H3/b12-9+.
What are the key properties of (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine?
(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine is sourced from PubChem (CID 143866583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).