1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine

C14H28N2 — CID 142463785

IUPAC1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine
SMILESC=C(CCCCCC)NC(NCC)C(=C)C
InChIInChI=1S/C14H28N2/c1-6-8-9-10-11-13(5)16-14(12(3)4)15-7-2/h14-16H,3,5-11H2,1-2,4H3
InChIKeyROXVBVGHBQCUPZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.57
Rot. Bonds10

About 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine

1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine (PubChem CID 142463785) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine
PubChem CID142463785
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine
SMILESC=C(CCCCCC)NC(NCC)C(=C)C
InChIInChI=1S/C14H28N2/c1-6-8-9-10-11-13(5)16-14(12(3)4)15-7-2/h14-16H,3,5-11H2,1-2,4H3
InChIKeyROXVBVGHBQCUPZ-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine?
The IUPAC name of 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine (CID 142463785) is 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine is C=C(CCCCCC)NC(NCC)C(=C)C.
What is the InChIKey of 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine?
The InChIKey is ROXVBVGHBQCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-8-9-10-11-13(5)16-14(12(3)4)15-7-2/h14-16H,3,5-11H2,1-2,4H3.
What are the key properties of 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine?
1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine is sourced from PubChem (CID 142463785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).