(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one

C7H15N3O — CID 167135074

IUPAC(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one
SMILESCCN1C[C@H](N)CC(=O)N1C
InChIInChI=1S/C7H15N3O/c1-3-10-5-6(8)4-7(11)9(10)2/h6H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyMBZWGNCVUQYWRS-ZCFIWIBFSA-N
MW157.22 g/mol
LogP-0.59
Rot. Bonds1

About (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one

(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one (PubChem CID 167135074) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one.

Molecular Properties

Compound Name(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one
PubChem CID167135074
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one
SMILESCCN1C[C@H](N)CC(=O)N1C
InChIInChI=1S/C7H15N3O/c1-3-10-5-6(8)4-7(11)9(10)2/h6H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyMBZWGNCVUQYWRS-ZCFIWIBFSA-N
XLogP-0.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
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ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
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4-amino-1-(2-ethylcyclohexyl)pyrrolidin-2-one
CID 61470304
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
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4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one?
The IUPAC name of (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one (CID 167135074) is (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one.
What is the SMILES notation for (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one?
The canonical SMILES for (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one is CCN1C[C@H](N)CC(=O)N1C.
What is the InChIKey of (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one?
The InChIKey is MBZWGNCVUQYWRS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-10-5-6(8)4-7(11)9(10)2/h6H,3-5,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one?
(5R)-5-amino-1-ethyl-2-methyldiazinan-3-one has a molecular weight of 157.22 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-1-ethyl-2-methyldiazinan-3-one is sourced from PubChem (CID 167135074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).