N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide

C16H25N3O — CID 77063981

IUPACN'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
SMILESCC(C)(CCCNC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C16H25N3O/c1-16(2,15(17)19-20)9-6-10-18-14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14,18,20H,6,9-11H2,1-2H3,(H2,17,19)
InChIKeyDLHSRPLELUCEBF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.68
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide (PubChem CID 77063981) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
PubChem CID77063981
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
SMILESCC(C)(CCCNC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C16H25N3O/c1-16(2,15(17)19-20)9-6-10-18-14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14,18,20H,6,9-11H2,1-2H3,(H2,17,19)
InChIKeyDLHSRPLELUCEBF-UHFFFAOYSA-N
XLogP2.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide (CID 77063981) is N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide is CC(C)(CCCNC1CC1c1ccccc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide?
The InChIKey is DLHSRPLELUCEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,15(17)19-20)9-6-10-18-14-11-13(14)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 N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide has a molecular weight of 275.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide is sourced from PubChem (CID 77063981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).