5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C15H24N4O2 — CID 77065803

IUPAC5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CN2CCC(N(C)C)C2)cc1C(N)=NO
InChIInChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(10-12)9-11-4-5-14(21-3)13(8-11)15(16)17-20/h4-5,8,12,20H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKeyHNFXIKISIHGTJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.93
Rot. Bonds5

About 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 77065803) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID77065803
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(CN2CCC(N(C)C)C2)cc1C(N)=NO
InChIInChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(10-12)9-11-4-5-14(21-3)13(8-11)15(16)17-20/h4-5,8,12,20H,6-7,9-10H2,1-3H3,(H2,16,17)
InChIKeyHNFXIKISIHGTJX-UHFFFAOYSA-N
XLogP0.93
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067
N'-hydroxy-2-methoxy-5-(1,4-thiazepan-4-ylmethyl)benzenecarboximidamide
CID 77065920
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 77065911
N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 106789288
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065866
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 77065803) is 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1ccc(CN2CCC(N(C)C)C2)cc1C(N)=NO.
What is the InChIKey of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is HNFXIKISIHGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)12-6-7-19(10-12)9-11-4-5-14(21-3)13(8-11)15(16)17-20/h4-5,8,12,20H,6-7,9-10H2,1-3H3,(H2,16,17).
What are the key properties of 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 292.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 77065803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).