N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide

C14H21N3O — CID 77031419

IUPACN'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC1c1ccccc1
InChIInChI=1S/C14H21N3O/c1-2-11(8-14(15)17-18)16-13-9-12(13)10-6-4-3-5-7-10/h3-7,11-13,16,18H,2,8-9H2,1H3,(H2,15,17)
InChIKeyLPFCXCFAMRCKOP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.05
Rot. Bonds6

About N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide

N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide (PubChem CID 77031419) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
PubChem CID77031419
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)NC1CC1c1ccccc1
InChIInChI=1S/C14H21N3O/c1-2-11(8-14(15)17-18)16-13-9-12(13)10-6-4-3-5-7-10/h3-7,11-13,16,18H,2,8-9H2,1H3,(H2,15,17)
InChIKeyLPFCXCFAMRCKOP-UHFFFAOYSA-N
XLogP2.05
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide (CID 77031419) is N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide is CCC(CC(N)=NO)NC1CC1c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide?
The InChIKey is LPFCXCFAMRCKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-11(8-14(15)17-18)16-13-9-12(13)10-6-4-3-5-7-10/h3-7,11-13,16,18H,2,8-9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide?
N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide has a molecular weight of 247.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide is sourced from PubChem (CID 77031419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).