3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

C17H31N3 — CID 64921580

IUPAC3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccn(C(CC)CC)n2)C1C
InChIInChI=1S/C17H31N3/c1-5-14-8-9-17(13(14)4)18-12-15-10-11-20(19-15)16(6-2)7-3/h10-11,13-14,16-18H,5-9,12H2,1-4H3
InChIKeyASSDCSAJIGFILO-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.16
Rot. Bonds7

About 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 64921580) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID64921580
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccn(C(CC)CC)n2)C1C
InChIInChI=1S/C17H31N3/c1-5-14-8-9-17(13(14)4)18-12-15-10-11-20(19-15)16(6-2)7-3/h10-11,13-14,16-18H,5-9,12H2,1-4H3
InChIKeyASSDCSAJIGFILO-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (CID 64921580) is 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is CCC1CCC(NCc2ccn(C(CC)CC)n2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is ASSDCSAJIGFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-14-8-9-17(13(14)4)18-12-15-10-11-20(19-15)16(6-2)7-3/h10-11,13-14,16-18H,5-9,12H2,1-4H3.
What are the key properties of 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64921580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).