(E)-non-2-ene-2,8-diamine

C9H20N2 — CID 59222473

IUPAC(E)-non-2-ene-2,8-diamine
SMILESC/C(N)=C\CCCCC(C)N
InChIInChI=1S/C9H20N2/c1-8(10)6-4-3-5-7-9(2)11/h6,9H,3-5,7,10-11H2,1-2H3/b8-6+
InChIKeyFZCMXVZTYBSLCF-SOFGYWHQSA-N
MW156.27 g/mol
LogP1.76
Rot. Bonds5

About (E)-non-2-ene-2,8-diamine

(E)-non-2-ene-2,8-diamine (PubChem CID 59222473) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-non-2-ene-2,8-diamine.

Molecular Properties

Compound Name(E)-non-2-ene-2,8-diamine
PubChem CID59222473
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(E)-non-2-ene-2,8-diamine
SMILESC/C(N)=C\CCCCC(C)N
InChIInChI=1S/C9H20N2/c1-8(10)6-4-3-5-7-9(2)11/h6,9H,3-5,7,10-11H2,1-2H3/b8-6+
InChIKeyFZCMXVZTYBSLCF-SOFGYWHQSA-N
XLogP1.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-non-2-ene-2,8-diamine?
The IUPAC name of (E)-non-2-ene-2,8-diamine (CID 59222473) is (E)-non-2-ene-2,8-diamine.
What is the SMILES notation for (E)-non-2-ene-2,8-diamine?
The canonical SMILES for (E)-non-2-ene-2,8-diamine is C/C(N)=C\CCCCC(C)N.
What is the InChIKey of (E)-non-2-ene-2,8-diamine?
The InChIKey is FZCMXVZTYBSLCF-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(10)6-4-3-5-7-9(2)11/h6,9H,3-5,7,10-11H2,1-2H3/b8-6+.
What are the key properties of (E)-non-2-ene-2,8-diamine?
(E)-non-2-ene-2,8-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-non-2-ene-2,8-diamine is sourced from PubChem (CID 59222473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).