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

C16H25N3O — CID 79878175

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCC1(C)CCCC1NC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-16(2)10-6-9-14(16)18-13(11-15(17)19-20)12-7-4-3-5-8-12/h3-5,7-8,13-14,18,20H,6,9-11H2,1-2H3,(H2,17,19)
InChIKeyVOJJYZQIHMZZSM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.03
Rot. Bonds5

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

3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 79878175) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
PubChem CID79878175
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCC1(C)CCCC1NC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-16(2)10-6-9-14(16)18-13(11-15(17)19-20)12-7-4-3-5-8-12/h3-5,7-8,13-14,18,20H,6,9-11H2,1-2H3,(H2,17,19)
InChIKeyVOJJYZQIHMZZSM-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 79860147
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypentanimidamide
CID 79879009
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
CID 77027819
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77045515
4-[1-[(2,2-dimethylcyclopentyl)amino]propyl]phenol
CID 79855934
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 77099063
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide (CID 79878175) is 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide is CC1(C)CCCC1NC(CC(N)=NO)c1ccccc1.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is VOJJYZQIHMZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)10-6-9-14(16)18-13(11-15(17)19-20)12-7-4-3-5-8-12/h3-5,7-8,13-14,18,20H,6,9-11H2,1-2H3,(H2,17,19).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 275.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 79878175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).