N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine

C13H26N2 — CID 123140737

IUPACN'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN
InChIInChI=1S/C13H26N2/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8,15H,4-5,7,9-11,14H2,1-3H3
InChIKeyQQLYOKNVUBMTBS-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.62
Rot. Bonds8

About N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine

N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine (PubChem CID 123140737) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
PubChem CID123140737
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
SMILESCC(C)=CCCC(C)=CCNCCCN
InChIInChI=1S/C13H26N2/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8,15H,4-5,7,9-11,14H2,1-3H3
InChIKeyQQLYOKNVUBMTBS-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine?
The IUPAC name of N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine (CID 123140737) is N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine is CC(C)=CCCC(C)=CCNCCCN.
What is the InChIKey of N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine?
The InChIKey is QQLYOKNVUBMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8,15H,4-5,7,9-11,14H2,1-3H3.
What are the key properties of N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine?
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine is sourced from PubChem (CID 123140737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).