(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine

C19H35NO — CID 130373110

IUPAC(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine
SMILESCC/C(=C\C=C/CCCCN)OCC1CCCCCCC1
InChIInChI=1S/C19H35NO/c1-2-19(15-11-7-4-8-12-16-20)21-17-18-13-9-5-3-6-10-14-18/h7,11,15,18H,2-6,8-10,12-14,16-17,20H2,1H3/b11-7-,19-15+
InChIKeyVGDKCYUVLOZOKM-YLXCJJHZSA-N
MW293.50 g/mol
LogP5.34
Rot. Bonds9

About (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine

(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine (PubChem CID 130373110) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine.

Molecular Properties

Compound Name(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine
PubChem CID130373110
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine
SMILESCC/C(=C\C=C/CCCCN)OCC1CCCCCCC1
InChIInChI=1S/C19H35NO/c1-2-19(15-11-7-4-8-12-16-20)21-17-18-13-9-5-3-6-10-14-18/h7,11,15,18H,2-6,8-10,12-14,16-17,20H2,1H3/b11-7-,19-15+
InChIKeyVGDKCYUVLOZOKM-YLXCJJHZSA-N
XLogP5.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine?
The IUPAC name of (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine (CID 130373110) is (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine.
What is the SMILES notation for (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine?
The canonical SMILES for (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine is CC/C(=C\C=C/CCCCN)OCC1CCCCCCC1.
What is the InChIKey of (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine?
The InChIKey is VGDKCYUVLOZOKM-YLXCJJHZSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-19(15-11-7-4-8-12-16-20)21-17-18-13-9-5-3-6-10-14-18/h7,11,15,18H,2-6,8-10,12-14,16-17,20H2,1H3/b11-7-,19-15+.
What are the key properties of (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine?
(5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-8-(cyclooctylmethoxy)deca-5,7-dien-1-amine is sourced from PubChem (CID 130373110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).