N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine

C15H28N6 — CID 163520688

IUPACN'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1cnc(CN2CCC(N(C)C)CC2)cn1
InChIInChI=1S/C15H28N6/c1-16-6-7-17-15-11-18-13(10-19-15)12-21-8-4-14(5-9-21)20(2)3/h10-11,14,16H,4-9,12H2,1-3H3,(H,17,19)
InChIKeyDKNSOSNTWIKSJT-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.63
Rot. Bonds7

About N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine

N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine (PubChem CID 163520688) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine
PubChem CID163520688
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC NameN'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine
SMILESCNCCNc1cnc(CN2CCC(N(C)C)CC2)cn1
InChIInChI=1S/C15H28N6/c1-16-6-7-17-15-11-18-13(10-19-15)12-21-8-4-14(5-9-21)20(2)3/h10-11,14,16H,4-9,12H2,1-3H3,(H,17,19)
InChIKeyDKNSOSNTWIKSJT-UHFFFAOYSA-N
XLogP0.63
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine (CID 163520688) is N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine is CNCCNc1cnc(CN2CCC(N(C)C)CC2)cn1.
What is the InChIKey of N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine?
The InChIKey is DKNSOSNTWIKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-16-6-7-17-15-11-18-13(10-19-15)12-21-8-4-14(5-9-21)20(2)3/h10-11,14,16H,4-9,12H2,1-3H3,(H,17,19).
What are the key properties of N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine?
N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[4-(dimethylamino)piperidin-1-yl]methyl]pyrazin-2-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 163520688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).