N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide

C14H22N4O — CID 79314161

IUPACN'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
SMILESCN(CC1CCCN1C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H22N4O/c1-17-9-3-4-13(17)10-18(2)12-7-5-11(6-8-12)14(15)16-19/h5-8,13,19H,3-4,9-10H2,1-2H3,(H2,15,16)
InChIKeyMTJPEVYAZUSYGX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.31
Rot. Bonds4

About N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide

N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide (PubChem CID 79314161) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
PubChem CID79314161
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
SMILESCN(CC1CCCN1C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H22N4O/c1-17-9-3-4-13(17)10-18(2)12-7-5-11(6-8-12)14(15)16-19/h5-8,13,19H,3-4,9-10H2,1-2H3,(H2,15,16)
InChIKeyMTJPEVYAZUSYGX-UHFFFAOYSA-N
XLogP1.31
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.31
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

(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951558
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
3-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 79319739
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 79312719
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
CID 79314423
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbothioamide
CID 79313788

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide (CID 79314161) is N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide is CN(CC1CCCN1C)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is MTJPEVYAZUSYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-9-3-4-13(17)10-18(2)12-7-5-11(6-8-12)14(15)16-19/h5-8,13,19H,3-4,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 79314161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).