3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine

C13H24N4O — CID 114208188

IUPAC3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine
SMILESCCCOc1cncc(NC(CN)C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-18-12-9-15-8-11(17-12)16-10(7-14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,16,17)
InChIKeyUUZUHIGNFXUSIP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds6

About 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine

3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine (PubChem CID 114208188) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine
PubChem CID114208188
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine
SMILESCCCOc1cncc(NC(CN)C(C)(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-18-12-9-15-8-11(17-12)16-10(7-14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,16,17)
InChIKeyUUZUHIGNFXUSIP-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-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 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine (CID 114208188) is 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine is CCCOc1cncc(NC(CN)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine?
The InChIKey is UUZUHIGNFXUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-18-12-9-15-8-11(17-12)16-10(7-14)13(2,3)4/h8-10H,5-7,14H2,1-4H3,(H,16,17).
What are the key properties of 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine?
3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 114208188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).