4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

C15H24N4O — CID 76975847

IUPAC4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCCN1Cc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H24N4O/c1-18(2)11-14-4-3-9-19(14)10-12-5-7-13(8-6-12)15(16)17-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,16,17)
InChIKeyFSCWSSMASMSTLY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.31
Rot. Bonds5

About 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76975847) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76975847
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CC1CCCN1Cc1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H24N4O/c1-18(2)11-14-4-3-9-19(14)10-12-5-7-13(8-6-12)15(16)17-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,16,17)
InChIKeyFSCWSSMASMSTLY-UHFFFAOYSA-N
XLogP1.31
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
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

N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 76975800
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 24703247
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77111637
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (CID 76975847) is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is CN(C)CC1CCCN1Cc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FSCWSSMASMSTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(2)11-14-4-3-9-19(14)10-12-5-7-13(8-6-12)15(16)17-20/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,16,17).
What are the key properties of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76975847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).