2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide

C14H22N4O — CID 81464986

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccccc2/C(N)=N/O)CC1N(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-13(10)17(2)3)12-7-5-4-6-11(12)14(15)16-19/h4-7,10,13,19H,8-9H2,1-3H3,(H2,15,16)
InChIKeyQBQKPMWISVNKHQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.17
Rot. Bonds3

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 81464986) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID81464986
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccccc2/C(N)=N/O)CC1N(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-13(10)17(2)3)12-7-5-4-6-11(12)14(15)16-19/h4-7,10,13,19H,8-9H2,1-3H3,(H2,15,16)
InChIKeyQBQKPMWISVNKHQ-UHFFFAOYSA-N
XLogP1.17
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
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

2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81465371
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzonitrile
CID 81465342
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79187962
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzoate
CID 115546701
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475046
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 79177638
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 81475031
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide (CID 81464986) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide is CC1CN(c2ccccc2/C(N)=N/O)CC1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QBQKPMWISVNKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-18(9-13(10)17(2)3)12-7-5-4-6-11(12)14(15)16-19/h4-7,10,13,19H,8-9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81464986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).