N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide

C11H23N3O2 — CID 77050193

IUPACN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
SMILESCC(CNCC1CCCCC1O)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)14-16)6-13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyHCZGHGIDYDNOSD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.51
Rot. Bonds5

About N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide

N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide (PubChem CID 77050193) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
PubChem CID77050193
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide
SMILESCC(CNCC1CCCCC1O)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)14-16)6-13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14)
InChIKeyHCZGHGIDYDNOSD-UHFFFAOYSA-N
XLogP0.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.51
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-methyl-3-(thiolan-2-ylmethylamino)propanimidamide
CID 80585506
3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanenitrile
CID 64910976
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
3-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77030866
N'-hydroxy-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propanimidamide
CID 77032142
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
methyl 2-bromo-3-[(2-hydroxycyclohexyl)methylamino]propanoate
CID 103254115
2-amino-3-[(2-hydroxycyclopentyl)methylamino]propanamide
CID 103255185
2-[(2-hydroxycyclohexyl)methylamino]-N-propan-2-ylacetamide
CID 64911813
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
CID 76948246
3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77029960
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide (CID 77050193) is N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide is CC(CNCC1CCCCC1O)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide?
The InChIKey is HCZGHGIDYDNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(12)14-16)6-13-7-9-4-2-3-5-10(9)15/h8-10,13,15-16H,2-7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide?
N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-hydroxycyclohexyl)methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 77050193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).