6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine

C16H30N4 — CID 66449687

IUPAC6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)CN(c1cncc(CNC(C)(C)C)n1)C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)11-20(13(3)4)15-10-17-8-14(19-15)9-18-16(5,6)7/h8,10,12-13,18H,9,11H2,1-7H3
InChIKeyBMXYZJNGGHCVGE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.24
Rot. Bonds6

About 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine

6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine (PubChem CID 66449687) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine
PubChem CID66449687
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)CN(c1cncc(CNC(C)(C)C)n1)C(C)C
InChIInChI=1S/C16H30N4/c1-12(2)11-20(13(3)4)15-10-17-8-14(19-15)9-18-16(5,6)7/h8,10,12-13,18H,9,11H2,1-7H3
InChIKeyBMXYZJNGGHCVGE-UHFFFAOYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(tert-butylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 66458019
6-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)pyrazin-2-amine
CID 66451243
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 66456793
6-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 66456847
6-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrazin-2-amine
CID 79488795
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
CID 66457221
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyrazin-2-amine
CID 66457590
6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 115987694
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 66457825
6-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 66457774
6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine (CID 66449687) is 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine is CC(C)CN(c1cncc(CNC(C)(C)C)n1)C(C)C.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine?
The InChIKey is BMXYZJNGGHCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)11-20(13(3)4)15-10-17-8-14(19-15)9-18-16(5,6)7/h8,10,12-13,18H,9,11H2,1-7H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine?
6-[(tert-butylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.24, 6 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-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 66449687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).