2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C8H17N3O — CID 77071343

IUPAC2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN(C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C8H17N3O/c1-11(2)6-8(3-4-8)5-7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyZKIRGRYBYNHDOI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.46
Rot. Bonds4

About 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071343) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071343
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN(C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C8H17N3O/c1-11(2)6-8(3-4-8)5-7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10)
InChIKeyZKIRGRYBYNHDOI-UHFFFAOYSA-N
XLogP0.46
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[butan-2-yl(methyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071512
2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071785
2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104861779
2-[1-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071581
2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070568
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
CID 77071596
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071605
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071343) is 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CN(C)CC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is ZKIRGRYBYNHDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(2)6-8(3-4-8)5-7(9)10-12/h12H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).