3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one

C14H26N4O — CID 62940940

IUPAC3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(CC(C)C)CN(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-18-8-7-15-13(14(18)19)16-12(9-11(2)3)10-17(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyKXJPLIOCLXKBNG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.65
Rot. Bonds7

About 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one

3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one (PubChem CID 62940940) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
PubChem CID62940940
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC(CC(C)C)CN(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-18-8-7-15-13(14(18)19)16-12(9-11(2)3)10-17(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16)
InChIKeyKXJPLIOCLXKBNG-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
N-ethyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-N-methylpropanamide
CID 103111577
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62939329
2-N-(1-ethyl-4-methylimidazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 106564821
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 103943105
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one (CID 62940940) is 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one is CCn1ccnc(NC(CC(C)C)CN(C)C)c1=O.
What is the InChIKey of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one?
The InChIKey is KXJPLIOCLXKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-18-8-7-15-13(14(18)19)16-12(9-11(2)3)10-17(4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,15,16).
What are the key properties of 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one?
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62940940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).