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

C11H24N4O — CID 66056404

IUPAC4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-14(2)7-9-6-10(16)8-15(9)5-3-4-11(12)13/h9-10,16H,3-8H2,1-2H3,(H3,12,13)
InChIKeyUBRRCEMCXDVVBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.30
Rot. Bonds6

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

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide (PubChem CID 66056404) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
PubChem CID66056404
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N4O/c1-14(2)7-9-6-10(16)8-15(9)5-3-4-11(12)13/h9-10,16H,3-8H2,1-2H3,(H3,12,13)
InChIKeyUBRRCEMCXDVVBI-UHFFFAOYSA-N
XLogP-0.30
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide (CID 66056404) is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide is [H]/N=C(\N)CCCN1CC(O)CC1CN(C)C.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
The InChIKey is UBRRCEMCXDVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-14(2)7-9-6-10(16)8-15(9)5-3-4-11(12)13/h9-10,16H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide?
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanimidamide is sourced from PubChem (CID 66056404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).