ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine

C14H27NO — CID 143884463

IUPACethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)C)CN(C)CCOC.CC
InChIInChI=1S/C12H21NO.C2H6/c1-6-12(9-11(2)3)10-13(4)7-8-14-5;1-2/h6,9H,1-2,7-8,10H2,3-5H3;1-2H3/b12-9+;
InChIKeyANLQLBIJKNODRW-NBYYMMLRSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds7

About ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine

ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine (PubChem CID 143884463) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine
PubChem CID143884463
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine
SMILESC=C/C(=C\C(=C)C)CN(C)CCOC.CC
InChIInChI=1S/C12H21NO.C2H6/c1-6-12(9-11(2)3)10-13(4)7-8-14-5;1-2/h6,9H,1-2,7-8,10H2,3-5H3;1-2H3/b12-9+;
InChIKeyANLQLBIJKNODRW-NBYYMMLRSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 137797148
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CID 137797149
4-[(2E,5E)-2-methylhepta-2,5-dienyl]morpholine
CID 12485221
4-[(2E)-2,6-dimethylhepta-2,5-dienyl]morpholine
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4-(Cyclohexa-1,5-dien-1-ylmethyl)morpholine
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2-Methyl-1-morpholino-2,5-heptadiene
CID 53810439
4-(2,6-Dimethylhepta-2,5-dienyl)morpholine
CID 54277974
1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridine
CID 60061039
1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
CID 67489411
4-[(2-Methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 68070947
2-[Cyclohexa-1,5-dien-1-ylmethyl(ethyl)amino]ethanol
CID 70337068
(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905152

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine (CID 143884463) is ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine is C=C/C(=C\C(=C)C)CN(C)CCOC.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine?
The InChIKey is ANLQLBIJKNODRW-NBYYMMLRSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-6-12(9-11(2)3)10-13(4)7-8-14-5;1-2/h6,9H,1-2,7-8,10H2,3-5H3;1-2H3/b12-9+;.
What are the key properties of ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine?
ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-(2-methoxyethyl)-N,4-dimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143884463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).