1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine

C15H30N2 — CID 83981088

IUPAC1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCC(C)CN1CCC(CC(N)C2CCCC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)10-17-8-7-13(11-17)9-15(16)14-5-3-4-6-14/h12-15H,3-11,16H2,1-2H3
InChIKeyIIOIHDWNNQSZSL-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine

1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine (PubChem CID 83981088) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
PubChem CID83981088
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
SMILESCC(C)CN1CCC(CC(N)C2CCCC2)C1
InChIInChI=1S/C15H30N2/c1-12(2)10-17-8-7-13(11-17)9-15(16)14-5-3-4-6-14/h12-15H,3-11,16H2,1-2H3
InChIKeyIIOIHDWNNQSZSL-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine (CID 83981088) is 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine is CC(C)CN1CCC(CC(N)C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is IIOIHDWNNQSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)10-17-8-7-13(11-17)9-15(16)14-5-3-4-6-14/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine?
1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 83981088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).