3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide

C14H22N4O — CID 62893872

IUPAC3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)CC1CCCO1
InChIInChI=1S/C14H22N4O/c1-2-18(10-12-6-4-8-19-12)9-11-5-3-7-17-13(11)14(15)16/h3,5,7,12H,2,4,6,8-10H2,1H3,(H3,15,16)
InChIKeyVMMUBLHCWIUXJO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.37
Rot. Bonds6

About 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide (PubChem CID 62893872) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
PubChem CID62893872
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)CC1CCCO1
InChIInChI=1S/C14H22N4O/c1-2-18(10-12-6-4-8-19-12)9-11-5-3-7-17-13(11)14(15)16/h3,5,7,12H,2,4,6,8-10H2,1H3,(H3,15,16)
InChIKeyVMMUBLHCWIUXJO-UHFFFAOYSA-N
XLogP1.37
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.37
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'}

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Related Compounds

3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
2-ethoxy-6-[[ethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82981600
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide (CID 62893872) is 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(CC)CC1CCCO1.
What is the InChIKey of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
The InChIKey is VMMUBLHCWIUXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18(10-12-6-4-8-19-12)9-11-5-3-7-17-13(11)14(15)16/h3,5,7,12H,2,4,6,8-10H2,1H3,(H3,15,16).
What are the key properties of 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide?
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62893872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).