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

C15H24N4O — CID 81464000

IUPAC3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2cccc(/C(N)=N/O)c2)CC1N(C)C
InChIInChI=1S/C15H24N4O/c1-11-8-19(10-14(11)18(2)3)9-12-5-4-6-13(7-12)15(16)17-20/h4-7,11,14,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyLBRYNOBBGLFLPT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds4

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

3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 81464000) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID81464000
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2cccc(/C(N)=N/O)c2)CC1N(C)C
InChIInChI=1S/C15H24N4O/c1-11-8-19(10-14(11)18(2)3)9-12-5-4-6-13(7-12)15(16)17-20/h4-7,11,14,20H,8-10H2,1-3H3,(H2,16,17)
InChIKeyLBRYNOBBGLFLPT-UHFFFAOYSA-N
XLogP1.16
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.16
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

3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
2-amino-4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]phenol
CID 81459680
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
3-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76939940
5-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-2-fluorobenzenecarbothioamide
CID 107879469
N'-hydroxy-3-[(3-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 77037603
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980627
4-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788296
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (CID 81464000) is 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is CC1CN(Cc2cccc(/C(N)=N/O)c2)CC1N(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LBRYNOBBGLFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-8-19(10-14(11)18(2)3)9-12-5-4-6-13(7-12)15(16)17-20/h4-7,11,14,20H,8-10H2,1-3H3,(H2,16,17).
What are the key properties of 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81464000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).