N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine

C12H28N2 — CID 20817992

IUPACN,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine
SMILESCC(C)(C)CNCCNCC(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyOUFNOWUREGICHL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.26
Rot. Bonds5

About N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine

N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine (PubChem CID 20817992) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine
PubChem CID20817992
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine
SMILESCC(C)(C)CNCCNCC(C)(C)C
InChIInChI=1S/C12H28N2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyOUFNOWUREGICHL-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis(2,2-dimethylpropyl)ethane-1,2-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 N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine (CID 20817992) is N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine is CC(C)(C)CNCCNCC(C)(C)C.
What is the InChIKey of N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine?
The InChIKey is OUFNOWUREGICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2,3)9-13-7-8-14-10-12(4,5)6/h13-14H,7-10H2,1-6H3.
What are the key properties of N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine?
N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2-dimethylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 20817992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).