2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine

C16H34N2 — CID 91073753

IUPAC2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine
SMILESC=CC(C)(CCCCCC(C)N(C)CC)CNC
InChIInChI=1S/C16H34N2/c1-7-16(4,14-17-5)13-11-9-10-12-15(3)18(6)8-2/h7,15,17H,1,8-14H2,2-6H3
InChIKeyMZNQOOANOAWTLT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.69
Rot. Bonds11

About 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine

2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine (PubChem CID 91073753) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine.

Molecular Properties

Compound Name2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine
PubChem CID91073753
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine
SMILESC=CC(C)(CCCCCC(C)N(C)CC)CNC
InChIInChI=1S/C16H34N2/c1-7-16(4,14-17-5)13-11-9-10-12-15(3)18(6)8-2/h7,15,17H,1,8-14H2,2-6H3
InChIKeyMZNQOOANOAWTLT-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine?
The IUPAC name of 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine (CID 91073753) is 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine.
What is the SMILES notation for 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine?
The canonical SMILES for 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine is C=CC(C)(CCCCCC(C)N(C)CC)CNC.
What is the InChIKey of 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine?
The InChIKey is MZNQOOANOAWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-16(4,14-17-5)13-11-9-10-12-15(3)18(6)8-2/h7,15,17H,1,8-14H2,2-6H3.
What are the key properties of 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine?
2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-8-N-ethyl-1-N,8-N,2-trimethylnonane-1,8-diamine is sourced from PubChem (CID 91073753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).