6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

C14H23N3O — CID 80854388

IUPAC6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2(C)CCCO2)n1
InChIInChI=1S/C14H23N3O/c1-3-9-15-12-6-4-7-13(17-12)16-11-14(2)8-5-10-18-14/h4,6-7H,3,5,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyHOJCZPCEYWVVED-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.88
Rot. Bonds6

About 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80854388) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80854388
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCC2(C)CCCO2)n1
InChIInChI=1S/C14H23N3O/c1-3-9-15-12-6-4-7-13(17-12)16-11-14(2)8-5-10-18-14/h4,6-7H,3,5,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyHOJCZPCEYWVVED-UHFFFAOYSA-N
XLogP2.88
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[(2-methyloxolan-2-yl)methylamino]pyridine-2-carboxamide
CID 131932579
N-[[(2S)-2-methyloxolan-2-yl]methyl]-6-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 95825664
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80855459
5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
CID 114011595
6-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 107165478
2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956988
2-tert-butyl-6-chloro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80951749
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984701
4-N-[(2-methyloxolan-2-yl)methyl]quinoline-4,8-diamine
CID 83061056
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 80854388) is 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCC2(C)CCCO2)n1.
What is the InChIKey of 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is HOJCZPCEYWVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-15-12-6-4-7-13(17-12)16-11-14(2)8-5-10-18-14/h4,6-7H,3,5,8-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80854388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).