N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide

C14H27N3O2 — CID 76924945

IUPACN'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)C1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-4-7-14(8-5-2,12(15)16-19)13(18)17-9-6-11(3)10-17/h11,19H,4-10H2,1-3H3,(H2,15,16)
InChIKeyPMBQKLRKYIKAMF-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.19
Rot. Bonds6

About N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide

N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide (PubChem CID 76924945) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide
PubChem CID76924945
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)C1)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-4-7-14(8-5-2,12(15)16-19)13(18)17-9-6-11(3)10-17/h11,19H,4-10H2,1-3H3,(H2,15,16)
InChIKeyPMBQKLRKYIKAMF-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.19
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

2-(3,4-dimethylpiperazine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 77000518
2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 76925281
2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 76924786
N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
CID 76926242
2-ethyl-N'-hydroxy-2-[4-(hydroxymethyl)piperidine-1-carbonyl]butanimidamide
CID 76920901
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 114292678
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
CID 76924910
N'-ethyl-3-methylpyrrolidine-1-carboximidamide
CID 62362781
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylcyclopentyl)methyl]-2-propylpentanamide
CID 107420169
1-(3,5-dimethylazepan-1-yl)-2-methyl-2-propylhexan-1-one
CID 167290572

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide (CID 76924945) is N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide is CCCC(CCC)(C(=O)N1CCC(C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide?
The InChIKey is PMBQKLRKYIKAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-7-14(8-5-2,12(15)16-19)13(18)17-9-6-11(3)10-17/h11,19H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide?
N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide has a molecular weight of 269.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide is sourced from PubChem (CID 76924945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).