6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine

C17H30N4 — CID 66457221

IUPAC6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
SMILESCN(c1cncc(CNC(C)(C)C)n1)C1CCCCCC1
InChIInChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-18-13-16(20-14)21(4)15-9-7-5-6-8-10-15/h11,13,15,19H,5-10,12H2,1-4H3
InChIKeyGUXBNGYUUFSXCL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.52
Rot. Bonds4

About 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine

6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine (PubChem CID 66457221) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
PubChem CID66457221
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
SMILESCN(c1cncc(CNC(C)(C)C)n1)C1CCCCCC1
InChIInChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-18-13-16(20-14)21(4)15-9-7-5-6-8-10-15/h11,13,15,19H,5-10,12H2,1-4H3
InChIKeyGUXBNGYUUFSXCL-UHFFFAOYSA-N
XLogP3.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66457957
6-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 82754698
N-cyclopentyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66458175
6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490
[6-[cyclohexyl(methyl)amino]pyrazin-2-yl]methanol
CID 66467743
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 66456793
2-N-cyclopentyl-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 80773857
N-methyl-6-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyrazin-2-amine
CID 66456774
6-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)pyrazin-2-amine
CID 66451243
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 66457459

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine (CID 66457221) is 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine is CN(c1cncc(CNC(C)(C)C)n1)C1CCCCCC1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine?
The InChIKey is GUXBNGYUUFSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)19-12-14-11-18-13-16(20-14)21(4)15-9-7-5-6-8-10-15/h11,13,15,19H,5-10,12H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine?
6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine is sourced from PubChem (CID 66457221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).