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

C10H17NO — CID 142412370

IUPAC(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)OCC
InChIInChI=1S/C10H17NO/c1-5-7-10(8-11-4)9(3)12-6-2/h5,7,11H,1,3,6,8H2,2,4H3/b10-7-
InChIKeyJBPBRYQTPRWQFH-YFHOEESVSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds6

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

(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine (PubChem CID 142412370) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
PubChem CID142412370
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)OCC
InChIInChI=1S/C10H17NO/c1-5-7-10(8-11-4)9(3)12-6-2/h5,7,11H,1,3,6,8H2,2,4H3/b10-7-
InChIKeyJBPBRYQTPRWQFH-YFHOEESVSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
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
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
N-methyl-1-(2H-pyran-4-yl)methanamine
CID 91312473
(Z,2E)-2-(2-methoxyethylidene)-N-methylhex-3-en-1-amine
CID 132044562
(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine
CID 137403708
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
CID 138727843
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine (CID 142412370) is (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine is C=C/C=C(/CNC)C(=C)OCC.
What is the InChIKey of (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
The InChIKey is JBPBRYQTPRWQFH-YFHOEESVSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-10(8-11-4)9(3)12-6-2/h5,7,11H,1,3,6,8H2,2,4H3/b10-7-.
What are the key properties of (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine?
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142412370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).