3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine

C12H26N2 — CID 79180458

IUPAC3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine
SMILESCCC(C)(C(C=C(C)C)NC)N(C)C
InChIInChI=1S/C12H26N2/c1-8-12(4,14(6)7)11(13-5)9-10(2)3/h9,11,13H,8H2,1-7H3
InChIKeyNVHFLLXIIDEHSO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds5

About 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine

3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine (PubChem CID 79180458) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine
PubChem CID79180458
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine
SMILESCCC(C)(C(C=C(C)C)NC)N(C)C
InChIInChI=1S/C12H26N2/c1-8-12(4,14(6)7)11(13-5)9-10(2)3/h9,11,13H,8H2,1-7H3
InChIKeyNVHFLLXIIDEHSO-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-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 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine (CID 79180458) is 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine is CCC(C)(C(C=C(C)C)NC)N(C)C.
What is the InChIKey of 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine?
The InChIKey is NVHFLLXIIDEHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-8-12(4,14(6)7)11(13-5)9-10(2)3/h9,11,13H,8H2,1-7H3.
What are the key properties of 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine?
3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,3,6-pentamethylhept-5-ene-3,4-diamine is sourced from PubChem (CID 79180458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).