N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine

C15H27N5 — CID 107379246

IUPACN-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H27N5/c1-4-5-16-10-14-11-18-15(12-17-14)20-8-6-19(7-9-20)13(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyIXDRTTMGPLNUNB-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.51
Rot. Bonds6

About N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107379246) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107379246
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(C(C)C)CC2)cn1
InChIInChI=1S/C15H27N5/c1-4-5-16-10-14-11-18-15(12-17-14)20-8-6-19(7-9-20)13(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyIXDRTTMGPLNUNB-UHFFFAOYSA-N
XLogP1.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107379247
N-[[6-(4-propan-2-ylpiperazin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62282587
N-[[5-(3-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380839
2-methyl-N-[[5-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378980
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107459587
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107378847
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688
N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 107380965
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379635
2-methyl-N-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379011

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 107379246) is N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCN(C(C)C)CC2)cn1.
What is the InChIKey of N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is IXDRTTMGPLNUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-5-16-10-14-11-18-15(12-17-14)20-8-6-19(7-9-20)13(2)3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107379246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).