5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine

C10H17N3O — CID 104534853

IUPAC5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
SMILESCCC(COC)Nc1cncc(N)c1
InChIInChI=1S/C10H17N3O/c1-3-9(7-14-2)13-10-4-8(11)5-12-6-10/h4-6,9,13H,3,7,11H2,1-2H3
InChIKeySVHWDRQJSSDMNV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.50
Rot. Bonds5

About 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine

5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine (PubChem CID 104534853) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
PubChem CID104534853
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
SMILESCCC(COC)Nc1cncc(N)c1
InChIInChI=1S/C10H17N3O/c1-3-9(7-14-2)13-10-4-8(11)5-12-6-10/h4-6,9,13H,3,7,11H2,1-2H3
InChIKeySVHWDRQJSSDMNV-UHFFFAOYSA-N
XLogP1.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxybutan-2-yl)-5-methylpyridin-3-amine
CID 115922303
5-N-butan-2-ylpyridine-3,5-diamine
CID 104532548
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464
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-phenylpropyl)pyridine-3,5-diamine
CID 104534194
5-N-ethylpyridine-3,5-diamine
CID 104532571
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
CID 23316326
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
4-(1-methoxybutan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788180

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine (CID 104534853) is 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine is CCC(COC)Nc1cncc(N)c1.
What is the InChIKey of 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine?
The InChIKey is SVHWDRQJSSDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9(7-14-2)13-10-4-8(11)5-12-6-10/h4-6,9,13H,3,7,11H2,1-2H3.
What are the key properties of 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine?
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104534853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).