2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine

C17H34N2 — CID 138564076

IUPAC2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine
SMILESCC/C=C/C(C)C1CCC(N)CCC(CC)NC1C
InChIInChI=1S/C17H34N2/c1-5-7-8-13(3)17-12-10-15(18)9-11-16(6-2)19-14(17)4/h7-8,13-17,19H,5-6,9-12,18H2,1-4H3/b8-7+
InChIKeyCZNVZLPYZKVESG-BQYQJAHWSA-N
MW266.47 g/mol
LogP3.86
Rot. Bonds4

About 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine

2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine (PubChem CID 138564076) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine.

Molecular Properties

Compound Name2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine
PubChem CID138564076
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine
SMILESCC/C=C/C(C)C1CCC(N)CCC(CC)NC1C
InChIInChI=1S/C17H34N2/c1-5-7-8-13(3)17-12-10-15(18)9-11-16(6-2)19-14(17)4/h7-8,13-17,19H,5-6,9-12,18H2,1-4H3/b8-7+
InChIKeyCZNVZLPYZKVESG-BQYQJAHWSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine?
The IUPAC name of 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine (CID 138564076) is 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine.
What is the SMILES notation for 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine?
The canonical SMILES for 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine is CC/C=C/C(C)C1CCC(N)CCC(CC)NC1C.
What is the InChIKey of 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine?
The InChIKey is CZNVZLPYZKVESG-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-7-8-13(3)17-12-10-15(18)9-11-16(6-2)19-14(17)4/h7-8,13-17,19H,5-6,9-12,18H2,1-4H3/b8-7+.
What are the key properties of 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine?
2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine has a molecular weight of 266.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[(E)-hex-3-en-2-yl]-9-methylazonan-5-amine is sourced from PubChem (CID 138564076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).