3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide

C16H25N3O — CID 77043811

IUPAC3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNCC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-16(19-20)15(14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15,18,20H,1,3-4,7-8,11-12H2,(H2,17,19)
InChIKeyAEAXMLBZWQUTOS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.69
Rot. Bonds6

About 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide

3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043811) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043811
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNCC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c17-16(19-20)15(14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15,18,20H,1,3-4,7-8,11-12H2,(H2,17,19)
InChIKeyAEAXMLBZWQUTOS-UHFFFAOYSA-N
XLogP2.69
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.69
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-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
CID 106311040
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
CID 77043951
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide (CID 77043811) is 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CNCC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is AEAXMLBZWQUTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(19-20)15(14-9-5-2-6-10-14)12-18-11-13-7-3-1-4-8-13/h2,5-6,9-10,13,15,18,20H,1,3-4,7-8,11-12H2,(H2,17,19).
What are the key properties of 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 275.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).