2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide

C15H29N3O2 — CID 76924786

IUPAC2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCCC1CC)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18-11-7-8-12(18)6-3/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyNWPGXQWTTOWQOU-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.72
Rot. Bonds7

About 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide

2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide (PubChem CID 76924786) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide.

Molecular Properties

Compound Name2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
PubChem CID76924786
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCCC1CC)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18-11-7-8-12(18)6-3/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyNWPGXQWTTOWQOU-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.72
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'}

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Related Compounds

N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
CID 76926242
2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 77000518
2-ethyl-2-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybutanimidamide
CID 76920708
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
CID 76925166
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
2-bromo-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 114329119
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
CID 76924910
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The IUPAC name of 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide (CID 76924786) is 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide.
What is the SMILES notation for 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The canonical SMILES for 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide is CCCC(CCC)(C(=O)N1CCCC1CC)C(N)=NO.
What is the InChIKey of 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
The InChIKey is NWPGXQWTTOWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18-11-7-8-12(18)6-3/h12,20H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide?
2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide has a molecular weight of 283.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide is sourced from PubChem (CID 76924786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).