2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine

C13H25N5 — CID 103191522

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine
SMILESCCN(c1cncc(CNC)n1)C(C)CN(C)C
InChIInChI=1S/C13H25N5/c1-6-18(11(2)10-17(4)5)13-9-15-8-12(16-13)7-14-3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyXNBOXVBMNVYESK-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.97
Rot. Bonds7

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine (PubChem CID 103191522) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine
PubChem CID103191522
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine
SMILESCCN(c1cncc(CNC)n1)C(C)CN(C)C
InChIInChI=1S/C13H25N5/c1-6-18(11(2)10-17(4)5)13-9-15-8-12(16-13)7-14-3/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyXNBOXVBMNVYESK-UHFFFAOYSA-N
XLogP0.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine with MolForge

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Related Compounds

2-N-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191593
N-butan-2-yl-N-(2-methoxyethyl)-6-(methylaminomethyl)pyrazin-2-amine
CID 66451443
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyrazin-2-amine
CID 66457590
2-N-ethyl-1-N,1-N-dimethyl-2-N-[4-(methylaminomethyl)-6-propan-2-yl-2-pyridinyl]propane-1,2-diamine
CID 103191525
6-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyrazin-2-amine
CID 66457788
N-ethyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66456595
N-cyclohexyl-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66457957
6-(methylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66451437
N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyrazin-2-amine
CID 66458425
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyrazin-2-amine
CID 66456774
6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
CID 79488795
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine (CID 103191522) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine is CCN(c1cncc(CNC)n1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine?
The InChIKey is XNBOXVBMNVYESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-6-18(11(2)10-17(4)5)13-9-15-8-12(16-13)7-14-3/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-(methylaminomethyl)pyrazin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 103191522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).