(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine

C11H21NO — CID 101202697

IUPAC(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
SMILESC/C=C(OCC)/C(=C/C)CN(C)C
InChIInChI=1S/C11H21NO/c1-6-10(9-12(4)5)11(7-2)13-8-3/h6-7H,8-9H2,1-5H3/b10-6+,11-7-
InChIKeyJDAIWJPRSFPGEN-QZTBCQRESA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds5

About (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine

(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine (PubChem CID 101202697) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
PubChem CID101202697
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
SMILESC/C=C(OCC)/C(=C/C)CN(C)C
InChIInChI=1S/C11H21NO/c1-6-10(9-12(4)5)11(7-2)13-8-3/h6-7H,8-9H2,1-5H3/b10-6+,11-7-
InChIKeyJDAIWJPRSFPGEN-QZTBCQRESA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
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

(E,2E)-N-butyl-2-(1-fluoroethylidene)-3-methoxy-N-methylpent-3-en-1-amine
CID 144302130
3-(7-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 146247094
3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 173195907
4-ethoxy-N,N,1,2,3-pentamethylcyclopenta-2,4-dien-1-amine
CID 12117428
lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
CID 138968244
lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
CID 20690182
(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
5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
CID 70255589
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine?
The IUPAC name of (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine (CID 101202697) is (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine?
The canonical SMILES for (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine is C/C=C(OCC)/C(=C/C)CN(C)C.
What is the InChIKey of (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine?
The InChIKey is JDAIWJPRSFPGEN-QZTBCQRESA-N. The full InChI is InChI=1S/C11H21NO/c1-6-10(9-12(4)5)11(7-2)13-8-3/h6-7H,8-9H2,1-5H3/b10-6+,11-7-.
What are the key properties of (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine?
(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine is sourced from PubChem (CID 101202697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).