3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one

C13H24N4O — CID 106142615

IUPAC3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCC(C)(C)CCCN)c1=O
InChIInChI=1S/C13H24N4O/c1-4-17-9-8-15-11(12(17)18)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,15,16)
InChIKeyRMDMHCZUIHKFGG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds7

About 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one

3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one (PubChem CID 106142615) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
PubChem CID106142615
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCC(C)(C)CCCN)c1=O
InChIInChI=1S/C13H24N4O/c1-4-17-9-8-15-11(12(17)18)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,15,16)
InChIKeyRMDMHCZUIHKFGG-UHFFFAOYSA-N
XLogP1.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142180
N-(1-ethylimidazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142947
3-[(1-amino-3-methylpentan-3-yl)amino]-1-ethylpyrazin-2-one
CID 106165626
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2,2-dimethylpropanenitrile
CID 154733887
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
CID 55157178

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one (CID 106142615) is 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(NCC(C)(C)CCCN)c1=O.
What is the InChIKey of 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is RMDMHCZUIHKFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-9-8-15-11(12(17)18)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,15,16).
What are the key properties of 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one?
3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 106142615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).