(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine

C17H27N — CID 143190937

IUPAC(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine
SMILESC=C/C=C(N)\C=C/C/C(=C/CC)C/C=C\CCC
InChIInChI=1S/C17H27N/c1-4-7-8-9-13-16(11-5-2)14-10-15-17(18)12-6-3/h6,8-12,15H,3-5,7,13-14,18H2,1-2H3/b9-8-,15-10-,16-11+,17-12+
InChIKeyWPKGPEASRXIDJD-AYMBWSNESA-N
MW245.41 g/mol
LogP5.04
Rot. Bonds9

About (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine

(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine (PubChem CID 143190937) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine.

Molecular Properties

Compound Name(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine
PubChem CID143190937
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine
SMILESC=C/C=C(N)\C=C/C/C(=C/CC)C/C=C\CCC
InChIInChI=1S/C17H27N/c1-4-7-8-9-13-16(11-5-2)14-10-15-17(18)12-6-3/h6,8-12,15H,3-5,7,13-14,18H2,1-2H3/b9-8-,15-10-,16-11+,17-12+
InChIKeyWPKGPEASRXIDJD-AYMBWSNESA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine?
The IUPAC name of (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine (CID 143190937) is (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine.
What is the SMILES notation for (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine?
The canonical SMILES for (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine is C=C/C=C(N)\C=C/C/C(=C/CC)C/C=C\CCC.
What is the InChIKey of (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine?
The InChIKey is WPKGPEASRXIDJD-AYMBWSNESA-N. The full InChI is InChI=1S/C17H27N/c1-4-7-8-9-13-16(11-5-2)14-10-15-17(18)12-6-3/h6,8-12,15H,3-5,7,13-14,18H2,1-2H3/b9-8-,15-10-,16-11+,17-12+.
What are the key properties of (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine?
(3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine has a molecular weight of 245.41 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8E,10Z)-8-propylidenetetradeca-1,3,5,10-tetraen-4-amine is sourced from PubChem (CID 143190937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).