(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine

C9H16N2 — CID 59222469

IUPAC(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine
SMILESC/C(N)=C\C=C\C=C\C(C)N
InChIInChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-8H,10-11H2,1-2H3/b5-3+,6-4+,9-7+
InChIKeySOKLERZQSVWYSY-GJOOXVBWSA-N
MW152.24 g/mol
LogP1.31
Rot. Bonds3

About (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine

(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine (PubChem CID 59222469) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine.

Molecular Properties

Compound Name(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine
PubChem CID59222469
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine
SMILESC/C(N)=C\C=C\C=C\C(C)N
InChIInChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-8H,10-11H2,1-2H3/b5-3+,6-4+,9-7+
InChIKeySOKLERZQSVWYSY-GJOOXVBWSA-N
XLogP1.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine?
The IUPAC name of (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine (CID 59222469) is (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine.
What is the SMILES notation for (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine?
The canonical SMILES for (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine is C/C(N)=C\C=C\C=C\C(C)N.
What is the InChIKey of (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine?
The InChIKey is SOKLERZQSVWYSY-GJOOXVBWSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(10)6-4-3-5-7-9(2)11/h3-8H,10-11H2,1-2H3/b5-3+,6-4+,9-7+.
What are the key properties of (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine?
(2E,4E,6E)-nona-2,4,6-triene-2,8-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-nona-2,4,6-triene-2,8-diamine is sourced from PubChem (CID 59222469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).