4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine

C12H26N2 — CID 123588936

IUPAC4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine
SMILESCC=CCC(CC)CC(C)C(N)NC
InChIInChI=1S/C12H26N2/c1-5-7-8-11(6-2)9-10(3)12(13)14-4/h5,7,10-12,14H,6,8-9,13H2,1-4H3
InChIKeyWMIHFNBLIFGJJG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.51
Rot. Bonds7

About 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine

4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine (PubChem CID 123588936) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine.

Molecular Properties

Compound Name4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine
PubChem CID123588936
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine
SMILESCC=CCC(CC)CC(C)C(N)NC
InChIInChI=1S/C12H26N2/c1-5-7-8-11(6-2)9-10(3)12(13)14-4/h5,7,10-12,14H,6,8-9,13H2,1-4H3
InChIKeyWMIHFNBLIFGJJG-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.51
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'}

Analyze 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
CID 134388221
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
CID 139376285
1-N'-[(Z,5S)-8-fluoro-4,5-dimethyl-3-methylidenenon-6-enyl]ethene-1,1-diamine
CID 173866526
Diallylbutylmethylammonium iodide
CID 129824703
2-cyclohex-3-en-1-yl-N-methylethanamine;hydrochloride
CID 24195159
1-cyclohex-2-en-1-yl-N-methylmethanamine;hydrochloride
CID 24195160
Bis(cyclohex-3-enylmethyl)amine
CID 579932

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine?
The IUPAC name of 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine (CID 123588936) is 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine.
What is the SMILES notation for 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine?
The canonical SMILES for 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine is CC=CCC(CC)CC(C)C(N)NC.
What is the InChIKey of 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine?
The InChIKey is WMIHFNBLIFGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-8-11(6-2)9-10(3)12(13)14-4/h5,7,10-12,14H,6,8-9,13H2,1-4H3.
What are the key properties of 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine?
4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-N',2-dimethyloct-6-ene-1,1-diamine is sourced from PubChem (CID 123588936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).