2-methyl-6-methylideneocta-2,7-diene-1,1-diamine

C10H18N2 — CID 88769812

IUPAC2-methyl-6-methylideneocta-2,7-diene-1,1-diamine
SMILESC=CC(=C)CCC=C(C)C(N)N
InChIInChI=1S/C10H18N2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,7,10H,1-2,5-6,11-12H2,3H3
InChIKeyXDHAXGYXHLKKKZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.70
Rot. Bonds5

About 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine

2-methyl-6-methylideneocta-2,7-diene-1,1-diamine (PubChem CID 88769812) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-6-methylideneocta-2,7-diene-1,1-diamine
PubChem CID88769812
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-6-methylideneocta-2,7-diene-1,1-diamine
SMILESC=CC(=C)CCC=C(C)C(N)N
InChIInChI=1S/C10H18N2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,7,10H,1-2,5-6,11-12H2,3H3
InChIKeyXDHAXGYXHLKKKZ-UHFFFAOYSA-N
XLogP1.70
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine?
The IUPAC name of 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine (CID 88769812) is 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine.
What is the SMILES notation for 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine?
The canonical SMILES for 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine is C=CC(=C)CCC=C(C)C(N)N.
What is the InChIKey of 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine?
The InChIKey is XDHAXGYXHLKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-8(2)6-5-7-9(3)10(11)12/h4,7,10H,1-2,5-6,11-12H2,3H3.
What are the key properties of 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine?
2-methyl-6-methylideneocta-2,7-diene-1,1-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylideneocta-2,7-diene-1,1-diamine is sourced from PubChem (CID 88769812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).