3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine

C12H21N3O — CID 104534908

IUPAC3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC(C)CCOC)c1
InChIInChI=1S/C12H21N3O/c1-4-14-11-7-12(9-13-8-11)15-10(2)5-6-16-3/h7-10,14-15H,4-6H2,1-3H3
InChIKeyUUTQVWCAIOBQPE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds7

About 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine

3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine (PubChem CID 104534908) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
PubChem CID104534908
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
SMILESCCNc1cncc(NC(C)CCOC)c1
InChIInChI=1S/C12H21N3O/c1-4-14-11-7-12(9-13-8-11)15-10(2)5-6-16-3/h7-10,14-15H,4-6H2,1-3H3
InChIKeyUUTQVWCAIOBQPE-UHFFFAOYSA-N
XLogP2.35
TPSA46.18 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-N-(4-methoxybutan-2-yl)pyrazine-2,6-diamine
CID 78916118
3-N-ethyl-5-N-[2-(2-methoxyethoxy)ethyl]pyridine-3,5-diamine
CID 104533940
3-N-ethyl-5-N-(4-methylpentyl)pyridine-3,5-diamine
CID 104534461
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-N-ethylpyridine-3,5-diamine
CID 104533595
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
2-N-ethyl-6-N-(4-methoxybutan-2-yl)pyridine-2,6-diamine
CID 80843613
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104533936
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
CID 115760953

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine (CID 104534908) is 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine is CCNc1cncc(NC(C)CCOC)c1.
What is the InChIKey of 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine?
The InChIKey is UUTQVWCAIOBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-14-11-7-12(9-13-8-11)15-10(2)5-6-16-3/h7-10,14-15H,4-6H2,1-3H3.
What are the key properties of 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104534908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).