N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine

C16H29N3O — CID 64730951

IUPACN-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(C2CC(C)CC(C)C2)nc1C
InChIInChI=1S/C16H29N3O/c1-12-7-13(2)9-16(8-12)19-11-15(14(3)18-19)10-17-5-6-20-4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyOBRRICACHGSGDD-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.92
Rot. Bonds6

About N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 64730951) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID64730951
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(C2CC(C)CC(C)C2)nc1C
InChIInChI=1S/C16H29N3O/c1-12-7-13(2)9-16(8-12)19-11-15(14(3)18-19)10-17-5-6-20-4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyOBRRICACHGSGDD-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 126966497
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
N-[[1-(2-ethylsulfanylethyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 113474440
2-methoxy-N-[[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 65165467
2-methoxy-N-[[3-methyl-1-(2-propan-2-ylsulfanylethyl)pyrazol-4-yl]methyl]ethanamine
CID 114268880
2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
CID 64774281
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[[1-[(5-bromo-2-pyridinyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104811700
N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962281
2-methoxy-N-[[2-methyl-4-(3-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 55148767
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 64730951) is N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(C2CC(C)CC(C)C2)nc1C.
What is the InChIKey of N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is OBRRICACHGSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12-7-13(2)9-16(8-12)19-11-15(14(3)18-19)10-17-5-6-20-4/h11-13,16-17H,5-10H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 64730951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).