(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine

C13H24N2 — CID 88578721

IUPAC(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine
SMILESC/C=C\C(=C/C)C(N)/C=C\C(C)CNC
InChIInChI=1S/C13H24N2/c1-5-7-12(6-2)13(14)9-8-11(3)10-15-4/h5-9,11,13,15H,10,14H2,1-4H3/b7-5-,9-8-,12-6+
InChIKeyPFLONKQEBIJFLF-AOEWOUBCSA-N
MW208.35 g/mol
LogP2.25
Rot. Bonds6

About (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine

(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine (PubChem CID 88578721) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine.

Molecular Properties

Compound Name(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine
PubChem CID88578721
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine
SMILESC/C=C\C(=C/C)C(N)/C=C\C(C)CNC
InChIInChI=1S/C13H24N2/c1-5-7-12(6-2)13(14)9-8-11(3)10-15-4/h5-9,11,13,15H,10,14H2,1-4H3/b7-5-,9-8-,12-6+
InChIKeyPFLONKQEBIJFLF-AOEWOUBCSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine?
The IUPAC name of (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine (CID 88578721) is (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine.
What is the SMILES notation for (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine?
The canonical SMILES for (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine is C/C=C\C(=C/C)C(N)/C=C\C(C)CNC.
What is the InChIKey of (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine?
The InChIKey is PFLONKQEBIJFLF-AOEWOUBCSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-12(6-2)13(14)9-8-11(3)10-15-4/h5-9,11,13,15H,10,14H2,1-4H3/b7-5-,9-8-,12-6+.
What are the key properties of (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine?
(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine is sourced from PubChem (CID 88578721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).