ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine

C13H23NO — CID 144830556

IUPACethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
SMILESC=C.C=C(C)/C=C(/CNCC)C(=C)OC
InChIInChI=1S/C11H19NO.C2H4/c1-6-12-8-11(7-9(2)3)10(4)13-5;1-2/h7,12H,2,4,6,8H2,1,3,5H3;1-2H2/b11-7-;
InChIKeyCGIUPZQBWFGXGQ-AJULUCINSA-N
MW209.33 g/mol
LogP3.06
Rot. Bonds6

About ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine

ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine (PubChem CID 144830556) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
PubChem CID144830556
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
SMILESC=C.C=C(C)/C=C(/CNCC)C(=C)OC
InChIInChI=1S/C11H19NO.C2H4/c1-6-12-8-11(7-9(2)3)10(4)13-5;1-2/h7,12H,2,4,6,8H2,1,3,5H3;1-2H2/b11-7-;
InChIKeyCGIUPZQBWFGXGQ-AJULUCINSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
N-[(7,7-dimethylchromen-3-yl)methyl]prop-2-en-1-amine
CID 89651380
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 123449523
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
CID 123882157
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-amine
CID 132001282

Frequently Asked Questions

What is the IUPAC name of ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The IUPAC name of ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine (CID 144830556) is ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The canonical SMILES for ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine is C=C.C=C(C)/C=C(/CNCC)C(=C)OC.
What is the InChIKey of ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The InChIKey is CGIUPZQBWFGXGQ-AJULUCINSA-N. The full InChI is InChI=1S/C11H19NO.C2H4/c1-6-12-8-11(7-9(2)3)10(4)13-5;1-2/h7,12H,2,4,6,8H2,1,3,5H3;1-2H2/b11-7-;.
What are the key properties of ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 144830556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).