N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide

C15H23N3O2 — CID 77027819

IUPACN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
SMILESNC(CC(NC1(CO)CCCC1)c1ccccc1)=NO
InChIInChI=1S/C15H23N3O2/c16-14(18-20)10-13(12-6-2-1-3-7-12)17-15(11-19)8-4-5-9-15/h1-3,6-7,13,17,19-20H,4-5,8-11H2,(H2,16,18)
InChIKeyLTWIIGYXSABQBO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds6

About N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide

N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide (PubChem CID 77027819) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
PubChem CID77027819
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
SMILESNC(CC(NC1(CO)CCCC1)c1ccccc1)=NO
InChIInChI=1S/C15H23N3O2/c16-14(18-20)10-13(12-6-2-1-3-7-12)17-15(11-19)8-4-5-9-15/h1-3,6-7,13,17,19-20H,4-5,8-11H2,(H2,16,18)
InChIKeyLTWIIGYXSABQBO-UHFFFAOYSA-N
XLogP1.76
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
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-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
CID 103268089

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide (CID 77027819) is N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide is NC(CC(NC1(CO)CCCC1)c1ccccc1)=NO.
What is the InChIKey of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide?
The InChIKey is LTWIIGYXSABQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-14(18-20)10-13(12-6-2-1-3-7-12)17-15(11-19)8-4-5-9-15/h1-3,6-7,13,17,19-20H,4-5,8-11H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide?
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide is sourced from PubChem (CID 77027819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).