2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine

C14H23N3O — CID 114107323

IUPAC2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NCC2(C)CCC2)ccc1N
InChIInChI=1S/C14H23N3O/c1-10(2)18-13-11(15)5-6-12(17-13)16-9-14(3)7-4-8-14/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17)
InChIKeyVAGWPRHJHXZESW-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.05
Rot. Bonds5

About 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine

2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 114107323) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID114107323
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(NCC2(C)CCC2)ccc1N
InChIInChI=1S/C14H23N3O/c1-10(2)18-13-11(15)5-6-12(17-13)16-9-14(3)7-4-8-14/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17)
InChIKeyVAGWPRHJHXZESW-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113481908
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568215
6-propan-2-yloxy-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43261168
2-N-(3,5-dimethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261617
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine (CID 114107323) is 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(NCC2(C)CCC2)ccc1N.
What is the InChIKey of 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is VAGWPRHJHXZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)18-13-11(15)5-6-12(17-13)16-9-14(3)7-4-8-14/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine?
2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 114107323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).