1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine

C16H26N4 — CID 107379977

IUPAC1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC3(CCCCC3)CC2)cn1
InChIInChI=1S/C16H26N4/c1-17-11-14-12-19-15(13-18-14)20-9-7-16(8-10-20)5-3-2-4-6-16/h12-13,17H,2-11H2,1H3
InChIKeyBXYXCSXNSADCMK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.75
Rot. Bonds3

About 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine

1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine (PubChem CID 107379977) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
PubChem CID107379977
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC3(CCCCC3)CC2)cn1
InChIInChI=1S/C16H26N4/c1-17-11-14-12-19-15(13-18-14)20-9-7-16(8-10-20)5-3-2-4-6-16/h12-13,17H,2-11H2,1H3
InChIKeyBXYXCSXNSADCMK-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 107378854
N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107380419
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379250
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107380091
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]ethanamine
CID 107379251
1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107380160
N-[[5-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107459587
1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389757
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 107378764
N-[[6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451089

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine (CID 107379977) is 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine is CNCc1cnc(N2CCC3(CCCCC3)CC2)cn1.
What is the InChIKey of 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine?
The InChIKey is BXYXCSXNSADCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-11-14-12-19-15(13-18-14)20-9-7-16(8-10-20)5-3-2-4-6-16/h12-13,17H,2-11H2,1H3.
What are the key properties of 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine?
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107379977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).