1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H21N3O — CID 66052817

IUPAC1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H21N3O/c1-13(2)6-9-5-10(15)7-14(9)11(12)8-3-4-8/h8-10,12,15H,3-7H2,1-2H3/b12-11+
InChIKeyQCCFBPNVRQQGSJ-VAWYXSNFSA-N
MW211.31 g/mol
LogP0.37
Rot. Bonds3

About 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66052817) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66052817
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILES[H]/N=C(\C1CC1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H21N3O/c1-13(2)6-9-5-10(15)7-14(9)11(12)8-3-4-8/h8-10,12,15H,3-7H2,1-2H3/b12-11+
InChIKeyQCCFBPNVRQQGSJ-VAWYXSNFSA-N
XLogP0.37
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052618
2-[(dimethylamino)methyl]-4-hydroxy-N-methylpyrrolidine-1-carbothioamide
CID 116509184
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66053156
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone
CID 114084952
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66053359

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66052817) is 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is [H]/N=C(\C1CC1)N1CC(O)CC1CN(C)C.
What is the InChIKey of 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is QCCFBPNVRQQGSJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13(2)6-9-5-10(15)7-14(9)11(12)8-3-4-8/h8-10,12,15H,3-7H2,1-2H3/b12-11+.
What are the key properties of 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 211.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarboximidoyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66052817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).