2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine

C12H26N2 — CID 79054295

IUPAC2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine
SMILESC=CCCCC(NC)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-7-8-9-10-11(13-4)12(2,3)14(5)6/h7,11,13H,1,8-10H2,2-6H3
InChIKeyLWHNVYTUSYAVBV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds7

About 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine

2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine (PubChem CID 79054295) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine
PubChem CID79054295
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine
SMILESC=CCCCC(NC)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-7-8-9-10-11(13-4)12(2,3)14(5)6/h7,11,13H,1,8-10H2,2-6H3
InChIKeyLWHNVYTUSYAVBV-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 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 ≤ 52.27
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'}

Analyze 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine (CID 79054295) is 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine is C=CCCCC(NC)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine?
The InChIKey is LWHNVYTUSYAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-7-8-9-10-11(13-4)12(2,3)14(5)6/h7,11,13H,1,8-10H2,2-6H3.
What are the key properties of 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine?
2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N,2-tetramethyloct-7-ene-2,3-diamine is sourced from PubChem (CID 79054295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).