(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine

C17H27NO — CID 167046317

IUPAC(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
SMILESC=CC(/C=C/C(/C=C\CCN)=C/COCCC)=C\C
InChIInChI=1S/C17H27NO/c1-4-14-19-15-12-17(9-7-8-13-18)11-10-16(5-2)6-3/h5-7,9-12H,2,4,8,13-15,18H2,1,3H3/b9-7-,11-10+,16-6+,17-12+
InChIKeyCZUWKLPDTQHUMD-MBXZEYOBSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds10

About (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine

(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine (PubChem CID 167046317) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine.

Molecular Properties

Compound Name(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
PubChem CID167046317
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
SMILESC=CC(/C=C/C(/C=C\CCN)=C/COCCC)=C\C
InChIInChI=1S/C17H27NO/c1-4-14-19-15-12-17(9-7-8-13-18)11-10-16(5-2)6-3/h5-7,9-12H,2,4,8,13-15,18H2,1,3H3/b9-7-,11-10+,16-6+,17-12+
InChIKeyCZUWKLPDTQHUMD-MBXZEYOBSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
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 (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine?
The IUPAC name of (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine (CID 167046317) is (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine.
What is the SMILES notation for (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine?
The canonical SMILES for (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine is C=CC(/C=C/C(/C=C\CCN)=C/COCCC)=C\C.
What is the InChIKey of (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine?
The InChIKey is CZUWKLPDTQHUMD-MBXZEYOBSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-19-15-12-17(9-7-8-13-18)11-10-16(5-2)6-3/h5-7,9-12H,2,4,8,13-15,18H2,1,3H3/b9-7-,11-10+,16-6+,17-12+.
What are the key properties of (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine?
(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine is sourced from PubChem (CID 167046317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).