3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one

C14H26N4O — CID 62927325

IUPAC3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(C)CCNC(C)(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-9-18-11-7-15-12(13(18)19)17(5)10-8-16-14(2,3)4/h7,11,16H,6,8-10H2,1-5H3
InChIKeyQSXQSBKYVGYWEP-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds6

About 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one

3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one (PubChem CID 62927325) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
PubChem CID62927325
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(C)CCNC(C)(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-9-18-11-7-15-12(13(18)19)17(5)10-8-16-14(2,3)4/h7,11,16H,6,8-10H2,1-5H3
InChIKeyQSXQSBKYVGYWEP-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
CID 55157011
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
CID 55157178
N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62593911
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
N-tert-butyl-2-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]acetamide
CID 146086687

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one (CID 62927325) is 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(N(C)CCNC(C)(C)C)c1=O.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one?
The InChIKey is QSXQSBKYVGYWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-9-18-11-7-15-12(13(18)19)17(5)10-8-16-14(2,3)4/h7,11,16H,6,8-10H2,1-5H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one?
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).