3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

C15H26N4O — CID 136701807

IUPAC3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCCCC(CC)CNCc1cccnc1/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-3-5-7-12(4-2)10-17-11-13-8-6-9-18-14(13)15(16)19-20/h6,8-9,12,17,20H,3-5,7,10-11H2,1-2H3,(H2,16,19)
InChIKeySODMBMWSBKPSOY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds9

About 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide

3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136701807) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136701807
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCCCC(CC)CNCc1cccnc1/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-3-5-7-12(4-2)10-17-11-13-8-6-9-18-14(13)15(16)19-20/h6,8-9,12,17,20H,3-5,7,10-11H2,1-2H3,(H2,16,19)
InChIKeySODMBMWSBKPSOY-UHFFFAOYSA-N
XLogP2.48
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136701807) is 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is CCCCC(CC)CNCc1cccnc1/C(N)=N/O.
What is the InChIKey of 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is SODMBMWSBKPSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-7-12(4-2)10-17-11-13-8-6-9-18-14(13)15(16)19-20/h6,8-9,12,17,20H,3-5,7,10-11H2,1-2H3,(H2,16,19).
What are the key properties of 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136701807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).