2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine

C17H30N4 — CID 80839139

IUPAC2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-9-19-15-11-18-12-16(21-15)20-13-17(10-14(2)3)7-5-6-8-17/h11-12,14H,4-10,13H2,1-3H3,(H2,19,20,21)
InChIKeyXBNQBXSCEXGCEU-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.32
Rot. Bonds8

About 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80839139) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80839139
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-9-19-15-11-18-12-16(21-15)20-13-17(10-14(2)3)7-5-6-8-17/h11-12,14H,4-10,13H2,1-3H3,(H2,19,20,21)
InChIKeyXBNQBXSCEXGCEU-UHFFFAOYSA-N
XLogP4.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838837
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
CID 80854484
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
6-N-ethyl-2-N-[(1-ethylcyclopropyl)methyl]pyrazine-2,6-diamine
CID 103736833
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine (CID 80839139) is 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCC2(CC(C)C)CCCC2)n1.
What is the InChIKey of 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is XBNQBXSCEXGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-9-19-15-11-18-12-16(21-15)20-13-17(10-14(2)3)7-5-6-8-17/h11-12,14H,4-10,13H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80839139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).