(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine

C9H15NO — CID 126583845

IUPAC(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine
SMILESC=CN(C)/C(C)=C/C(=C)OC
InChIInChI=1S/C9H15NO/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+
InChIKeyKJAMQGRCVQNUJO-BQYQJAHWSA-N
MW153.22 g/mol
LogP2.13
Rot. Bonds4

About (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine

(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine (PubChem CID 126583845) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine
PubChem CID126583845
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine
SMILESC=CN(C)/C(C)=C/C(=C)OC
InChIInChI=1S/C9H15NO/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+
InChIKeyKJAMQGRCVQNUJO-BQYQJAHWSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.13
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

(3E)-N-(3-fluoropropyl)-5-methoxy-N-propylhexa-1,3,5-trien-3-amine
CID 155717956
3-methoxy-N,N-dimethylbuta-1,3-dien-1-amine
CID 85890549
(3Z)-N-ethyl-N-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144626552
(1E)-N,N-dimethyl-1-pyran-2-ylidenemethanamine
CID 22448322
N,N-dimethyl-1-pyran-2-ylidenemethanamine
CID 54247002
carbanide;iridium;1-(3-methoxybenzene-6-id-1-yl)-2H-pyridine
CID 57622431
carbanide;1-(3-methoxybenzene-6-id-1-yl)-2H-pyridine;rhodium(2+)
CID 57622453
3-Methoxy-1-methyl-2-methylidenepyridine
CID 91203868
5-methoxy-1-methyl-2H-pyridine
CID 123139109
(2E)-N-ethenyl-4-methoxypenta-2,4-dien-2-amine
CID 126583912
4-Methoxy-1-methyl-2-methylidenepyridine
CID 132022901
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
CID 138633495

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine (CID 126583845) is (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine is C=CN(C)/C(C)=C/C(=C)OC.
What is the InChIKey of (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine?
The InChIKey is KJAMQGRCVQNUJO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+.
What are the key properties of (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine?
(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 126583845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).