2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide

C15H26N4O — CID 115505587

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)19(11(3)4)8-9-20-15-13(14(16)17)7-6-12(5)18-15/h6-7,10-11H,8-9H2,1-5H3,(H3,16,17)
InChIKeyCABDSVCDGDZGHY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide

2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide (PubChem CID 115505587) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
PubChem CID115505587
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)19(11(3)4)8-9-20-15-13(14(16)17)7-6-12(5)18-15/h6-7,10-11H,8-9H2,1-5H3,(H3,16,17)
InChIKeyCABDSVCDGDZGHY-UHFFFAOYSA-N
XLogP2.17
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
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

N-[2-[[3-(aminomethyl)-6-methyl-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505333
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
2-[2-methoxyethyl(propan-2-yl)amino]-6-methylpyridine-3-carboximidamide
CID 82951585
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
CID 62984137
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
6-methyl-2-[2-(propan-2-ylamino)ethoxy]pyridine-3-carboxamide
CID 62348157
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
CID 115505522

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide (CID 115505587) is 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide?
The InChIKey is CABDSVCDGDZGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)19(11(3)4)8-9-20-15-13(14(16)17)7-6-12(5)18-15/h6-7,10-11H,8-9H2,1-5H3,(H3,16,17).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide?
2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 115505587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).