1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine

C11H22N2 — CID 130280969

IUPAC1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
SMILESC=C(N)NCCCCC(=C)C(C)C
InChIInChI=1S/C11H22N2/c1-9(2)10(3)7-5-6-8-13-11(4)12/h9,13H,3-8,12H2,1-2H3
InChIKeyXBFPDBXVUWZGIR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.39
Rot. Bonds7

About 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine

1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine (PubChem CID 130280969) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
PubChem CID130280969
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
SMILESC=C(N)NCCCCC(=C)C(C)C
InChIInChI=1S/C11H22N2/c1-9(2)10(3)7-5-6-8-13-11(4)12/h9,13H,3-8,12H2,1-2H3
InChIKeyXBFPDBXVUWZGIR-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.39
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 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine (CID 130280969) is 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine is C=C(N)NCCCCC(=C)C(C)C.
What is the InChIKey of 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine?
The InChIKey is XBFPDBXVUWZGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)10(3)7-5-6-8-13-11(4)12/h9,13H,3-8,12H2,1-2H3.
What are the key properties of 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine?
1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine is sourced from PubChem (CID 130280969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).