N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide

C16H25N3O — CID 77043729

IUPACN'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
SMILESCC1CCCC(NCC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-14(10-12)18-11-15(16(17)19-20)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,18,20H,5-6,9-11H2,1H3,(H2,17,19)
InChIKeyNUMRQINOTMKOFZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.68
Rot. Bonds5

About N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide (PubChem CID 77043729) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
PubChem CID77043729
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
SMILESCC1CCCC(NCC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-12-6-5-9-14(10-12)18-11-15(16(17)19-20)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,18,20H,5-6,9-11H2,1H3,(H2,17,19)
InChIKeyNUMRQINOTMKOFZ-UHFFFAOYSA-N
XLogP2.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
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

N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
CID 80719517
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide (CID 77043729) is N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide is CC1CCCC(NCC(C(N)=NO)c2ccccc2)C1.
What is the InChIKey of N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
The InChIKey is NUMRQINOTMKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-5-9-14(10-12)18-11-15(16(17)19-20)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,18,20H,5-6,9-11H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide has a molecular weight of 275.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).