2,3-dimethylocta-1,3-diene-1,1-diamine

C10H20N2 — CID 141341759

IUPAC2,3-dimethylocta-1,3-diene-1,1-diamine
SMILESCCCCC=C(C)C(C)=C(N)N
InChIInChI=1S/C10H20N2/c1-4-5-6-7-8(2)9(3)10(11)12/h7H,4-6,11-12H2,1-3H3
InChIKeyLVLPRCAKWHQCHC-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.27
Rot. Bonds4

About 2,3-dimethylocta-1,3-diene-1,1-diamine

2,3-dimethylocta-1,3-diene-1,1-diamine (PubChem CID 141341759) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,3-dimethylocta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name2,3-dimethylocta-1,3-diene-1,1-diamine
PubChem CID141341759
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2,3-dimethylocta-1,3-diene-1,1-diamine
SMILESCCCCC=C(C)C(C)=C(N)N
InChIInChI=1S/C10H20N2/c1-4-5-6-7-8(2)9(3)10(11)12/h7H,4-6,11-12H2,1-3H3
InChIKeyLVLPRCAKWHQCHC-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylocta-1,3-diene-1,1-diamine?
The IUPAC name of 2,3-dimethylocta-1,3-diene-1,1-diamine (CID 141341759) is 2,3-dimethylocta-1,3-diene-1,1-diamine.
What is the SMILES notation for 2,3-dimethylocta-1,3-diene-1,1-diamine?
The canonical SMILES for 2,3-dimethylocta-1,3-diene-1,1-diamine is CCCCC=C(C)C(C)=C(N)N.
What is the InChIKey of 2,3-dimethylocta-1,3-diene-1,1-diamine?
The InChIKey is LVLPRCAKWHQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-7-8(2)9(3)10(11)12/h7H,4-6,11-12H2,1-3H3.
What are the key properties of 2,3-dimethylocta-1,3-diene-1,1-diamine?
2,3-dimethylocta-1,3-diene-1,1-diamine has a molecular weight of 168.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylocta-1,3-diene-1,1-diamine is sourced from PubChem (CID 141341759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).