3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide

C11H24N4O — CID 76975863

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N1CCCC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-9(7-11(12)13-16)15-6-4-5-10(15)8-14(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYRKLQKYNPLLPGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds5

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 76975863) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
PubChem CID76975863
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N1CCCC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-9(7-11(12)13-16)15-6-4-5-10(15)8-14(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYRKLQKYNPLLPGX-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.54
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-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
CID 66430640
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
CID 62885371
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
CID 55128341
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxypentanimidamide
CID 77111703

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide (CID 76975863) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is YRKLQKYNPLLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(7-11(12)13-16)15-6-4-5-10(15)8-14(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76975863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).