N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

C15H27N3O2 — CID 114535212

IUPACN-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(C)nn2C)CCOC1C
InChIInChI=1S/C15H27N3O2/c1-12-9-14(18(3)17-12)10-15(5-7-20-13(15)2)11-16-6-8-19-4/h9,13,16H,5-8,10-11H2,1-4H3
InChIKeyMNZVBYZLQHGMCZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.30
Rot. Bonds7

About N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 114535212) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID114535212
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(C)nn2C)CCOC1C
InChIInChI=1S/C15H27N3O2/c1-12-9-14(18(3)17-12)10-15(5-7-20-13(15)2)11-16-6-8-19-4/h9,13,16H,5-8,10-11H2,1-4H3
InChIKeyMNZVBYZLQHGMCZ-UHFFFAOYSA-N
XLogP1.30
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534634
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 105408569
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535272
N-[[3-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534494
2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139258
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558
N-[[3-(cyclopentylmethyl)-2-cyclopropyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510178
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (CID 114535212) is N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2cc(C)nn2C)CCOC1C.
What is the InChIKey of N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is MNZVBYZLQHGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-9-14(18(3)17-12)10-15(5-7-20-13(15)2)11-16-6-8-19-4/h9,13,16H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114535212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).