ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine

C15H27NO — CID 142385769

IUPACethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine
SMILESC=C/C=C\C(=C)CCOCCCC(=C)N.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-7-12(2)9-11-15-10-6-8-13(3)14;1-2/h4-5,7H,1-3,6,8-11,14H2;1-2H3/b7-5-;
InChIKeyOGPXURIBEXRDTI-YJOCEBFMSA-N
MW237.39 g/mol
LogP3.97
Rot. Bonds9

About ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine

ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine (PubChem CID 142385769) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine.

Molecular Properties

Compound Nameethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine
PubChem CID142385769
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine
SMILESC=C/C=C\C(=C)CCOCCCC(=C)N.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-7-12(2)9-11-15-10-6-8-13(3)14;1-2/h4-5,7H,1-3,6,8-11,14H2;1-2H3/b7-5-;
InChIKeyOGPXURIBEXRDTI-YJOCEBFMSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine?
The IUPAC name of ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine (CID 142385769) is ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine.
What is the SMILES notation for ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine?
The canonical SMILES for ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine is C=C/C=C\C(=C)CCOCCCC(=C)N.CC.
What is the InChIKey of ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine?
The InChIKey is OGPXURIBEXRDTI-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-5-7-12(2)9-11-15-10-6-8-13(3)14;1-2/h4-5,7H,1-3,6,8-11,14H2;1-2H3/b7-5-;.
What are the key properties of ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine?
ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(4Z)-3-methylidenehepta-4,6-dienoxy]pent-1-en-2-amine is sourced from PubChem (CID 142385769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).