2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine

C12H21N3O — CID 66278004

IUPAC2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
SMILESCCCCOCCNc1ncc(C)cc1N
InChIInChI=1S/C12H21N3O/c1-3-4-6-16-7-5-14-12-11(13)8-10(2)9-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyHFULDMKSWUTUDV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds7

About 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine

2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine (PubChem CID 66278004) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
PubChem CID66278004
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
SMILESCCCCOCCNc1ncc(C)cc1N
InChIInChI=1S/C12H21N3O/c1-3-4-6-16-7-5-14-12-11(13)8-10(2)9-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyHFULDMKSWUTUDV-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-methylpyridine-2,3-diamine
CID 12343669
6-(2-(5-((2-Methoxyethyl)(Methyl)amino)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119057275
1-(2-Methoxyethyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2239331
4-{5-Nitro-3-methyl-2-pyridinyl}morpholine
CID 4183387
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
6-(Morpholino)pyridin-3-amine
CID 104059
3-Amino-2-morpholin-4-ylpyridine
CID 2776573
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
2-[6-(Ethylamino)-3-pyridinyl]guanidine;hydrochloride
CID 118730395
5-N-(4,5-dihydro-1H-imidazol-2-yl)-2-N-ethylpyridine-2,5-diamine;hydrochloride
CID 118730498
N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyrazin-2-amine
CID 46230027
Guanidine, 2-cyano-1-(2-ethoxyethyl)-3-(3-pyridyl)-
CID 48865

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine (CID 66278004) is 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine is CCCCOCCNc1ncc(C)cc1N.
What is the InChIKey of 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine?
The InChIKey is HFULDMKSWUTUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-6-16-7-5-14-12-11(13)8-10(2)9-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine?
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66278004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).