6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine

C16H28N4 — CID 66457459

IUPAC6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
SMILESCCCN(CC1CC1)c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-5-8-20(12-13-6-7-13)15-11-17-9-14(19-15)10-18-16(2,3)4/h9,11,13,18H,5-8,10,12H2,1-4H3
InChIKeyBNWXVJXQNJNZIF-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds7

About 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine

6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine (PubChem CID 66457459) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
PubChem CID66457459
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
SMILESCCCN(CC1CC1)c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-5-8-20(12-13-6-7-13)15-11-17-9-14(19-15)10-18-16(2,3)4/h9,11,13,18H,5-8,10,12H2,1-4H3
InChIKeyBNWXVJXQNJNZIF-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylpyrazin-2-amine
CID 66450490
N,N-bis(cyclopropylmethyl)-6-(propylaminomethyl)pyrazin-2-amine
CID 66451704
6-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylprop-2-enyl)pyrazin-2-amine
CID 66457774
6-[(tert-butylamino)methyl]-N-cycloheptyl-N-methylpyrazin-2-amine
CID 66457221
[6-[cyclopropylmethyl(ethyl)amino]pyrazin-2-yl]methanol
CID 66466162
N'-[6-[(cyclopropylamino)methyl]pyrazin-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 66451630
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 66456793
2-N,2-N-bis(cyclopropylmethyl)-6-N-ethylpyrazine-2,6-diamine
CID 79033856
6-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 82754698
[5-[cyclopropylmethyl(propyl)amino]pyrazin-2-yl]methanol
CID 107372763
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
6-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)pyrazin-2-amine
CID 66451243

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine (CID 66457459) is 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine is CCCN(CC1CC1)c1cncc(CNC(C)(C)C)n1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
The InChIKey is BNWXVJXQNJNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-8-20(12-13-6-7-13)15-11-17-9-14(19-15)10-18-16(2,3)4/h9,11,13,18H,5-8,10,12H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine?
6-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 7 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-(cyclopropylmethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 66457459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).