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

C11H19NO — CID 144608616

IUPAC(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(/CNCC)C(=C)OC
InChIInChI=1S/C11H19NO/c1-6-12-8-11(7-9(2)3)10(4)13-5/h7,12H,2,4,6,8H2,1,3,5H3/b11-7-
InChIKeyIXXPGFWWBPXRGS-XFFZJAGNSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds6

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

(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine (PubChem CID 144608616) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
PubChem CID144608616
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine
SMILESC=C(C)/C=C(/CNCC)C(=C)OC
InChIInChI=1S/C11H19NO/c1-6-12-8-11(7-9(2)3)10(4)13-5/h7,12H,2,4,6,8H2,1,3,5H3/b11-7-
InChIKeyIXXPGFWWBPXRGS-XFFZJAGNSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

(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
N'-(5-methoxy-2-methylidenehexa-3,5-dienyl)-N-methyl-2-methylidenehex-3-ene-1,6-diamine
CID 90710826
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
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
(Z)-N-(3-methoxypropyl)-2-methylidenehex-3-en-1-amine
CID 132175166
(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
CID 134333921
(3E)-5-methoxy-N-propylhexa-3,5-dien-3-amine
CID 134334085

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine (CID 144608616) is (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine is C=C(C)/C=C(/CNCC)C(=C)OC.
What is the InChIKey of (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
The InChIKey is IXXPGFWWBPXRGS-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-12-8-11(7-9(2)3)10(4)13-5/h7,12H,2,4,6,8H2,1,3,5H3/b11-7-.
What are the key properties of (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine?
(2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 144608616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).