5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine

C15H28N4O — CID 107379397

IUPAC5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine
SMILESCCN(c1cnc(CNC(C)(C)C)cn1)C(C)COC
InChIInChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-10-16-13(8-17-14)9-18-15(3,4)5/h8,10,12,18H,7,9,11H2,1-6H3
InChIKeyQFCOECSJKOCSQE-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine

5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine (PubChem CID 107379397) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine
PubChem CID107379397
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine
SMILESCCN(c1cnc(CNC(C)(C)C)cn1)C(C)COC
InChIInChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-10-16-13(8-17-14)9-18-15(3,4)5/h8,10,12,18H,7,9,11H2,1-6H3
InChIKeyQFCOECSJKOCSQE-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
CID 62283025
5-[(tert-butylamino)methyl]-N-methyl-N-propan-2-ylpyrazin-2-amine
CID 107378934
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
6-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 66456847
3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 62282843
N-butyl-5-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 107378904
(E)-3-[6-[ethyl(1-methoxypropan-2-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80634082
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-6-N-propylpyrazine-2,6-diamine
CID 80814670
[6-[ethyl(1-methoxypropan-2-yl)amino]pyrazin-2-yl]methanol
CID 66467071
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 62287757
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrazin-2-amine
CID 107380720

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine (CID 107379397) is 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine is CCN(c1cnc(CNC(C)(C)C)cn1)C(C)COC.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine?
The InChIKey is QFCOECSJKOCSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-19(12(2)11-20-6)14-10-16-13(8-17-14)9-18-15(3,4)5/h8,10,12,18H,7,9,11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine?
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.23, 7 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-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 107379397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).