3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine

C12H26N2 — CID 79061026

IUPAC3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine
SMILESC=CCCC(N)C(CC)(CC)N(C)C
InChIInChI=1S/C12H26N2/c1-6-9-10-11(13)12(7-2,8-3)14(4)5/h6,11H,1,7-10,13H2,2-5H3
InChIKeyRNEXGZNLYPYERP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds7

About 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine

3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine (PubChem CID 79061026) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine
PubChem CID79061026
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine
SMILESC=CCCC(N)C(CC)(CC)N(C)C
InChIInChI=1S/C12H26N2/c1-6-9-10-11(13)12(7-2,8-3)14(4)5/h6,11H,1,7-10,13H2,2-5H3
InChIKeyRNEXGZNLYPYERP-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine (CID 79061026) is 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine is C=CCCC(N)C(CC)(CC)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine?
The InChIKey is RNEXGZNLYPYERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-9-10-11(13)12(7-2,8-3)14(4)5/h6,11H,1,7-10,13H2,2-5H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine?
3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyloct-7-ene-3,4-diamine is sourced from PubChem (CID 79061026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).