(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine

C9H17NO — CID 88914754

IUPAC(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)COC)NCC
InChIInChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6,10H,3,5,7H2,1-2,4H3/b8-6+
InChIKeyVVYPHOBORLYCSB-SOFGYWHQSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds5

About (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine

(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine (PubChem CID 88914754) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine
PubChem CID88914754
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine
SMILESC=C(/C=C(\C)COC)NCC
InChIInChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6,10H,3,5,7H2,1-2,4H3/b8-6+
InChIKeyVVYPHOBORLYCSB-SOFGYWHQSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-Methoxy-6-methyl-1,2-dihydropyridine
CID 22592199
(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine
CID 88576699
CID 89185829
CID 89185829
2-Ethoxy-6-methyl-1,2-dihydropyridine
CID 117755360
2-Methoxy-3,6-dimethyl-1,2-dihydropyridine
CID 129042383
(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine
CID 130291942
(2E,4Z)-N-ethenyl-6-ethoxyhexa-2,4-dien-2-amine
CID 130414616
(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
CID 134334067
(2E)-N-ethyl-4-methoxypenta-2,4-dien-2-amine
CID 134334192
(2E)-4-methoxy-N-propan-2-ylpenta-2,4-dien-2-amine
CID 134334199
(3Z,6E,8Z)-7-(methoxymethyl)-3-methyl-10-methylidene-2,5-dihydro-1H-azecine
CID 138614842
4-ethoxy-N-ethylbut-2-en-2-amine
CID 140101366

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine (CID 88914754) is (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine is C=C(/C=C(\C)COC)NCC.
What is the InChIKey of (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine?
The InChIKey is VVYPHOBORLYCSB-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-9(3)6-8(2)7-11-4/h6,10H,3,5,7H2,1-2,4H3/b8-6+.
What are the key properties of (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine?
(3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-5-methoxy-4-methylpenta-1,3-dien-2-amine is sourced from PubChem (CID 88914754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).