2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide

C11H24N4O — CID 66057202

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13)15-7-9(16)5-8(15)6-14(2)3/h8-10,16H,4-7H2,1-3H3,(H3,12,13)
InChIKeyYWNOFNSKCUIDHO-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.30
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide (PubChem CID 66057202) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
PubChem CID66057202
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13)15-7-9(16)5-8(15)6-14(2)3/h8-10,16H,4-7H2,1-3H3,(H3,12,13)
InChIKeyYWNOFNSKCUIDHO-UHFFFAOYSA-N
XLogP-0.30
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide (CID 66057202) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide is [H]/N=C(\N)C(CC)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The InChIKey is YWNOFNSKCUIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-10(11(12)13)15-7-9(16)5-8(15)6-14(2)3/h8-10,16H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 66057202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).