3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide

C11H18N4O — CID 62895415

IUPAC3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CC(C)O
InChIInChI=1S/C11H18N4O/c1-8(16)6-15(2)7-9-4-3-5-14-10(9)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyPUSSXAVKBCNXFT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.18
Rot. Bonds5

About 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide

3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 62895415) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID62895415
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)CC(C)O
InChIInChI=1S/C11H18N4O/c1-8(16)6-15(2)7-9-4-3-5-14-10(9)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyPUSSXAVKBCNXFT-UHFFFAOYSA-N
XLogP0.18
TPSA86.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.18
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 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide (CID 62895415) is 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)CC(C)O.
What is the InChIKey of 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is PUSSXAVKBCNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(16)6-15(2)7-9-4-3-5-14-10(9)11(12)13/h3-5,8,16H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide?
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).