3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine

C11H17N3O — CID 62476856

IUPAC3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCCO1
InChIInChI=1S/C11H17N3O/c1-8-5-9(12)6-13-11(8)14-7-10-3-2-4-15-10/h5-6,10H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyORMGAPSZVLVLQU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds3

About 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine

3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine (PubChem CID 62476856) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
PubChem CID62476856
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCC1CCCO1
InChIInChI=1S/C11H17N3O/c1-8-5-9(12)6-13-11(8)14-7-10-3-2-4-15-10/h5-6,10H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyORMGAPSZVLVLQU-UHFFFAOYSA-N
XLogP1.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,5-diamine
CID 63726632
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylpyridine-2,5-diamine
CID 63689946
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine (CID 62476856) is 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NCC1CCCO1.
What is the InChIKey of 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine?
The InChIKey is ORMGAPSZVLVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-9(12)6-13-11(8)14-7-10-3-2-4-15-10/h5-6,10H,2-4,7,12H2,1H3,(H,13,14).
What are the key properties of 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine?
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 62476856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).