N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C17H31N3 — CID 104991851

IUPACN-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2(C)CCCC2)n1
InChIInChI=1S/C17H31N3/c1-5-15(6-2)20-12-9-14(19-20)13-16(18-4)17(3)10-7-8-11-17/h9,12,15-16,18H,5-8,10-11,13H2,1-4H3
InChIKeyKNWDAXWUZURSQA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.95
Rot. Bonds7

About N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991851) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991851
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2(C)CCCC2)n1
InChIInChI=1S/C17H31N3/c1-5-15(6-2)20-12-9-14(19-20)13-16(18-4)17(3)10-7-8-11-17/h9,12,15-16,18H,5-8,10-11,13H2,1-4H3
InChIKeyKNWDAXWUZURSQA-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991851) is N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)C2(C)CCCC2)n1.
What is the InChIKey of N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is KNWDAXWUZURSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-15(6-2)20-12-9-14(19-20)13-16(18-4)17(3)10-7-8-11-17/h9,12,15-16,18H,5-8,10-11,13H2,1-4H3.
What are the key properties of N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).