(6E)-8-ethoxynona-6,8-dien-1-amine

C11H21NO — CID 130197581

IUPAC(6E)-8-ethoxynona-6,8-dien-1-amine
SMILESC=C(/C=C/CCCCCN)OCC
InChIInChI=1S/C11H21NO/c1-3-13-11(2)9-7-5-4-6-8-10-12/h7,9H,2-6,8,10,12H2,1H3/b9-7+
InChIKeyVBNBFTRGNPFCKP-VQHVLOKHSA-N
MW183.29 g/mol
LogP2.61
Rot. Bonds8

About (6E)-8-ethoxynona-6,8-dien-1-amine

(6E)-8-ethoxynona-6,8-dien-1-amine (PubChem CID 130197581) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (6E)-8-ethoxynona-6,8-dien-1-amine.

Molecular Properties

Compound Name(6E)-8-ethoxynona-6,8-dien-1-amine
PubChem CID130197581
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(6E)-8-ethoxynona-6,8-dien-1-amine
SMILESC=C(/C=C/CCCCCN)OCC
InChIInChI=1S/C11H21NO/c1-3-13-11(2)9-7-5-4-6-8-10-12/h7,9H,2-6,8,10,12H2,1H3/b9-7+
InChIKeyVBNBFTRGNPFCKP-VQHVLOKHSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.61
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 (6E)-8-ethoxynona-6,8-dien-1-amine?
The IUPAC name of (6E)-8-ethoxynona-6,8-dien-1-amine (CID 130197581) is (6E)-8-ethoxynona-6,8-dien-1-amine.
What is the SMILES notation for (6E)-8-ethoxynona-6,8-dien-1-amine?
The canonical SMILES for (6E)-8-ethoxynona-6,8-dien-1-amine is C=C(/C=C/CCCCCN)OCC.
What is the InChIKey of (6E)-8-ethoxynona-6,8-dien-1-amine?
The InChIKey is VBNBFTRGNPFCKP-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-13-11(2)9-7-5-4-6-8-10-12/h7,9H,2-6,8,10,12H2,1H3/b9-7+.
What are the key properties of (6E)-8-ethoxynona-6,8-dien-1-amine?
(6E)-8-ethoxynona-6,8-dien-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-ethoxynona-6,8-dien-1-amine is sourced from PubChem (CID 130197581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).