ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine

C15H31NO — CID 171652279

IUPACethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
SMILESC=C/C=C(\C=C)COCCCCN.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-3-7-11(4-2)10-13-9-6-5-8-12;2*1-2/h3-4,7H,1-2,5-6,8-10,12H2;2*1-2H3/b11-7+;;
InChIKeyAHRWJELAGDVNGE-FCVAESPPSA-N
MW241.42 g/mol
LogP4.09
Rot. Bonds8

About ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine

ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine (PubChem CID 171652279) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine.

Molecular Properties

Compound Nameethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
PubChem CID171652279
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
SMILESC=C/C=C(\C=C)COCCCCN.CC.CC
InChIInChI=1S/C11H19NO.2C2H6/c1-3-7-11(4-2)10-13-9-6-5-8-12;2*1-2/h3-4,7H,1-2,5-6,8-10,12H2;2*1-2H3/b11-7+;;
InChIKeyAHRWJELAGDVNGE-FCVAESPPSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
1-[(2E)-2-ethenylpenta-2,4-dienoxy]propan-2-amine
CID 141848142
(1E,3E,5Z)-3-(prop-2-enoxymethyl)hepta-1,3,5-trien-1-amine
CID 143464322
4-[(Z)-3-methylidenehex-4-enoxy]butan-1-amine
CID 145061779
3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-1-amine
CID 156377393
(E)-4-(3-methylbut-3-enoxy)but-2-en-1-amine
CID 158197410
2-[(2E)-2-ethenylpenta-2,4-dienoxy]ethanamine
CID 164604706
(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
CID 167046317
2-[(5Z,7Z)-3-(methoxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]ethanamine
CID 173983838
4-But-2-enoxybutan-1-amine
CID 76943665
4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine
CID 143852914

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The IUPAC name of ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine (CID 171652279) is ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine.
What is the SMILES notation for ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The canonical SMILES for ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine is C=C/C=C(\C=C)COCCCCN.CC.CC.
What is the InChIKey of ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
The InChIKey is AHRWJELAGDVNGE-FCVAESPPSA-N. The full InChI is InChI=1S/C11H19NO.2C2H6/c1-3-7-11(4-2)10-13-9-6-5-8-12;2*1-2/h3-4,7H,1-2,5-6,8-10,12H2;2*1-2H3/b11-7+;;.
What are the key properties of ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine?
ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2E)-2-ethenylpenta-2,4-dienoxy]butan-1-amine is sourced from PubChem (CID 171652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).