3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide

C16H25N3O — CID 76949207

IUPAC3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCN(C1CCCCC1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(14-10-6-3-7-11-14)15(12-16(17)18-20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,20H,3,6-7,10-12H2,1H3,(H2,17,18)
InChIKeyYHTYLAMVQVKQBJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.13
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide

3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 76949207) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
PubChem CID76949207
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCN(C1CCCCC1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(14-10-6-3-7-11-14)15(12-16(17)18-20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,20H,3,6-7,10-12H2,1H3,(H2,17,18)
InChIKeyYHTYLAMVQVKQBJ-UHFFFAOYSA-N
XLogP3.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
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'}

Analyze 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
CID 77104932
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N'-tert-butyl-N-cyclohexyl-N-methyl-1-phenylethane-1,2-diamine
CID 62423722
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (CID 76949207) is 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is CN(C1CCCCC1)C(CC(N)=NO)c1ccccc1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is YHTYLAMVQVKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(14-10-6-3-7-11-14)15(12-16(17)18-20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,20H,3,6-7,10-12H2,1H3,(H2,17,18).
What are the key properties of 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 275.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 76949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).