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

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Related Compounds

N-methyl-2-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]acetamide
CID 71857388
6-(2-morpholin-4-ylethoxy)-N-propan-2-ylpyrazin-2-amine
CID 172434599
6-(1-methylpyrrolidin-3-yl)oxy-N-propan-2-ylpyrazin-2-amine
CID 172434791
6-[(1,4-dimethylpiperazin-2-yl)methoxy]-N-propan-2-ylpyrazin-2-amine
CID 172435518
3-(2-morpholin-4-ylethoxy)-N-propan-2-ylpyrazin-2-amine
CID 172435875
6-[3-(dimethylamino)propoxy]-N-propan-2-ylpyrazin-2-amine
CID 172437144
6-(3-methoxypropoxy)-N-propan-2-ylpyrazin-2-amine
CID 172437171
6-(oxolan-3-yloxy)-N-propan-2-ylpyrazin-2-amine
CID 172437999
N-propan-2-yl-3-pyrrolidin-3-yloxypyrazin-2-amine
CID 172438002
3-(3-methoxypropoxy)-N-propan-2-ylpyrazin-2-amine
CID 172438470
1-(3-Ethoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185751
N-[1-(3-ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N'-(2-methoxyethyl)urea
CID 53185668

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).