2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide

C16H26N4O — CID 107109419

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCN1CCCC1CN(C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C16H26N4O/c1-4-20-10-6-8-13(20)11-19(3)15-12(2)7-5-9-14(15)16(17)18-21/h5,7,9,13,21H,4,6,8,10-11H2,1-3H3,(H2,17,18)
InChIKeyAANLPUDSDXOTAG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.01
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109419) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109419
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCN1CCCC1CN(C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C16H26N4O/c1-4-20-10-6-8-13(20)11-19(3)15-12(2)7-5-9-14(15)16(17)18-21/h5,7,9,13,21H,4,6,8,10-11H2,1-3H3,(H2,17,18)
InChIKeyAANLPUDSDXOTAG-UHFFFAOYSA-N
XLogP2.01
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.01
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-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109419) is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide is CCN1CCCC1CN(C)c1c(C)cccc1/C(N)=N/O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is AANLPUDSDXOTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-10-6-8-13(20)11-19(3)15-12(2)7-5-9-14(15)16(17)18-21/h5,7,9,13,21H,4,6,8,10-11H2,1-3H3,(H2,17,18).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).