2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine

C10H22N2 — CID 79178630

IUPAC2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine
SMILESCC(C)=CC(N)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-8(2)7-9(11)10(3,4)12(5)6/h7,9H,11H2,1-6H3
InChIKeyHBPKLORWYGKEAF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.62
Rot. Bonds3

About 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine

2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine (PubChem CID 79178630) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine
PubChem CID79178630
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine
SMILESCC(C)=CC(N)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-8(2)7-9(11)10(3,4)12(5)6/h7,9H,11H2,1-6H3
InChIKeyHBPKLORWYGKEAF-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,2-N,2,5-tetramethylhex-4-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,2,5-tetramethylhex-4-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine (CID 79178630) is 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine is CC(C)=CC(N)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine?
The InChIKey is HBPKLORWYGKEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)7-9(11)10(3,4)12(5)6/h7,9H,11H2,1-6H3.
What are the key properties of 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine?
2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2,5-tetramethylhex-4-ene-2,3-diamine is sourced from PubChem (CID 79178630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).