N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine

C17H28N4 — CID 66451089

IUPACN-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-2-9-18-12-15-13-19-14-16(20-15)21-10-7-17(8-11-21)5-3-4-6-17/h13-14,18H,2-12H2,1H3
InChIKeyLYMCJFWNDXFPNU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.14
Rot. Bonds5

About N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine

N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66451089) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66451089
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C17H28N4/c1-2-9-18-12-15-13-19-14-16(20-15)21-10-7-17(8-11-21)5-3-4-6-17/h13-14,18H,2-12H2,1H3
InChIKeyLYMCJFWNDXFPNU-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66458129
8-[6-(chloromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 66467792
3-[6-(chloromethyl)pyrazin-2-yl]-3-azaspiro[5.5]undecane
CID 66466419
N-[[6-(3-methoxy-3-methylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107395302
N-[[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 66451855
N-[[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 102886778
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107459587
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451540
2-methyl-N-[[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66457176
N-methyl-1-[6-(4-propylpiperazin-1-yl)pyrazin-2-yl]methanamine
CID 66456780

Frequently Asked Questions

What is the IUPAC name of N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine (CID 66451089) is N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is LYMCJFWNDXFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-9-18-12-15-13-19-14-16(20-15)21-10-7-17(8-11-21)5-3-4-6-17/h13-14,18H,2-12H2,1H3.
What are the key properties of N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66451089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).