2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C16H28N4 — CID 66450919

IUPAC2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC1CCCCCN1c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-13-8-6-5-7-9-20(13)15-12-17-10-14(19-15)11-18-16(2,3)4/h10,12-13,18H,5-9,11H2,1-4H3
InChIKeyMJIKAETZNDMJHK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450919) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450919
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC1CCCCCN1c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-13-8-6-5-7-9-20(13)15-12-17-10-14(19-15)11-18-16(2,3)4/h10,12-13,18H,5-9,11H2,1-4H3
InChIKeyMJIKAETZNDMJHK-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66458374
N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80835332
6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80647238
N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66449130
2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine
CID 66456388
N-[[6-(2,3-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66457927
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
CID 66457221
2-methyl-N-[[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80629274
2-methyl-N-[[6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 83045593
N-[[5-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380366
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 102728398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 66450919) is 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC1CCCCCN1c1cncc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is MJIKAETZNDMJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-8-6-5-7-9-20(13)15-12-17-10-14(19-15)11-18-16(2,3)4/h10,12-13,18H,5-9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).