5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

C16H28N4O — CID 107380315

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCOCC1)c1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-10-14-9-18-15(11-17-14)20(4)12-13-5-7-21-8-6-13/h9,11,13,19H,5-8,10,12H2,1-4H3
InChIKeyCRDAWKJZNDKQIT-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.23
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine

5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (PubChem CID 107380315) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
PubChem CID107380315
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
SMILESCN(CC1CCOCC1)c1cnc(CNC(C)(C)C)cn1
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-10-14-9-18-15(11-17-14)20(4)12-13-5-7-21-8-6-13/h9,11,13,19H,5-8,10,12H2,1-4H3
InChIKeyCRDAWKJZNDKQIT-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713655
N-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 146043495
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
N-butyl-5-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 107378904
6-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-N-methylpyridazin-3-amine
CID 62289252
N-methyl-6-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 55228186
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379872
5-(chloromethyl)-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 107373461
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 53410302
5-[(tert-butylamino)methyl]-N-methyl-N-propan-2-ylpyrazin-2-amine
CID 107378934
6-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 82754698

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine (CID 107380315) is 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is CN(CC1CCOCC1)c1cnc(CNC(C)(C)C)cn1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is CRDAWKJZNDKQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)19-10-14-9-18-15(11-17-14)20(4)12-13-5-7-21-8-6-13/h9,11,13,19H,5-8,10,12H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 107380315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).