N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide

C10H21N3O2 — CID 77056758

IUPACN'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
SMILESNC(CNCC1(O)CCCCCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-9(13-15)7-12-8-10(14)5-3-1-2-4-6-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyPTJZRTTWJBJPJA-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.41
Rot. Bonds4

About N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide

N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide (PubChem CID 77056758) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
PubChem CID77056758
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide
SMILESNC(CNCC1(O)CCCCCC1)=NO
InChIInChI=1S/C10H21N3O2/c11-9(13-15)7-12-8-10(14)5-3-1-2-4-6-10/h12,14-15H,1-8H2,(H2,11,13)
InChIKeyPTJZRTTWJBJPJA-UHFFFAOYSA-N
XLogP0.41
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
CID 77056852
N'-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062740
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752
N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056304
3-[(1-hydroxycyclohexyl)methylamino]propanamide
CID 60909908
4-[(1-hydroxycycloheptyl)methylamino]butanamide
CID 60908501
1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
CID 79167559
1-(hydrazinylmethyl)cyclohexan-1-ol
CID 65213347
1-[(4-hydroxybutylamino)methyl]cycloheptan-1-ol
CID 65122781
1-[[2-(dimethylamino)ethylamino]methyl]cyclopentan-1-ol
CID 65109208
3-chloro-N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 102667284
N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
CID 77056350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide (CID 77056758) is N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide is NC(CNCC1(O)CCCCCC1)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide?
The InChIKey is PTJZRTTWJBJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-9(13-15)7-12-8-10(14)5-3-1-2-4-6-10/h12,14-15H,1-8H2,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide?
N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxycycloheptyl)methylamino]ethanimidamide is sourced from PubChem (CID 77056758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).