N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide

C12H21N5O — CID 77071596

IUPACN'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
SMILESCN(Cc1nccn1C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C12H21N5O/c1-16(8-11-14-5-6-17(11)2)9-12(3-4-12)7-10(13)15-18/h5-6,18H,3-4,7-9H2,1-2H3,(H2,13,15)
InChIKeyCFLDKQMEZGCNCC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds6

About N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071596) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071596
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide
SMILESCN(Cc1nccn1C)CC1(CC(N)=NO)CC1
InChIInChI=1S/C12H21N5O/c1-16(8-11-14-5-6-17(11)2)9-12(3-4-12)7-10(13)15-18/h5-6,18H,3-4,7-9H2,1-2H3,(H2,13,15)
InChIKeyCFLDKQMEZGCNCC-UHFFFAOYSA-N
XLogP0.77
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 70788942
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63025655
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
N-[[3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63741934
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide (CID 77071596) is N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide is CN(Cc1nccn1C)CC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is CFLDKQMEZGCNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(8-11-14-5-6-17(11)2)9-12(3-4-12)7-10(13)15-18/h5-6,18H,3-4,7-9H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 251.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).