1,3-dimethyl-5-nitrosopiperidin-2-imine

C7H13N3O — CID 56636476

IUPAC1,3-dimethyl-5-nitrosopiperidin-2-imine
SMILES[H]/N=C1\C(C)CC(N=O)CN1C
InChIInChI=1S/C7H13N3O/c1-5-3-6(9-11)4-10(2)7(5)8/h5-6,8H,3-4H2,1-2H3/b8-7+
InChIKeyVQWBZYIEIKRCBX-BQYQJAHWSA-N
MW155.20 g/mol
LogP1.07
Rot. Bonds1

About 1,3-dimethyl-5-nitrosopiperidin-2-imine

1,3-dimethyl-5-nitrosopiperidin-2-imine (PubChem CID 56636476) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-nitrosopiperidin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-5-nitrosopiperidin-2-imine
PubChem CID56636476
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,3-dimethyl-5-nitrosopiperidin-2-imine
SMILES[H]/N=C1\C(C)CC(N=O)CN1C
InChIInChI=1S/C7H13N3O/c1-5-3-6(9-11)4-10(2)7(5)8/h5-6,8H,3-4H2,1-2H3/b8-7+
InChIKeyVQWBZYIEIKRCBX-BQYQJAHWSA-N
XLogP1.07
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 154249438
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[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
CID 88534958
2-imino-5-methylcyclopentan-1-one
CID 119097697
(5S)-3,5-dimethyl-1,3-oxazolidin-2-one;(5S)-3,5-dimethyloxolan-2-one;ethane
CID 157431674
ethane;1,3,5-trimethyl-1,3-diazinan-2-one
CID 154694196
3-methyl-5-phenyl-1,3-oxazolidin-2-imine
CID 3058501
4,6-dimethyl-2-nitrosomorpholin-3-one
CID 54568604
3-imino-2-methyl-3a,4,5,6,7,7a-hexahydroisoindol-1-one
CID 90994195
4-diazenyl-1,3-dimethylimidazolidin-2-one
CID 70339648
5-imino-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-6-amine
CID 90988164

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-nitrosopiperidin-2-imine?
The IUPAC name of 1,3-dimethyl-5-nitrosopiperidin-2-imine (CID 56636476) is 1,3-dimethyl-5-nitrosopiperidin-2-imine.
What is the SMILES notation for 1,3-dimethyl-5-nitrosopiperidin-2-imine?
The canonical SMILES for 1,3-dimethyl-5-nitrosopiperidin-2-imine is [H]/N=C1\C(C)CC(N=O)CN1C.
What is the InChIKey of 1,3-dimethyl-5-nitrosopiperidin-2-imine?
The InChIKey is VQWBZYIEIKRCBX-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-3-6(9-11)4-10(2)7(5)8/h5-6,8H,3-4H2,1-2H3/b8-7+.
What are the key properties of 1,3-dimethyl-5-nitrosopiperidin-2-imine?
1,3-dimethyl-5-nitrosopiperidin-2-imine has a molecular weight of 155.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-nitrosopiperidin-2-imine is sourced from PubChem (CID 56636476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).