1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine

C14H22N2 — CID 65410433

IUPAC1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCC1CCC(C(NC)c2cccnc2)C1
InChIInChI=1S/C14H22N2/c1-3-11-6-7-12(9-11)14(15-2)13-5-4-8-16-10-13/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3
InChIKeyMRTIYAJSIAOHRK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine

1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 65410433) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID65410433
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
SMILESCCC1CCC(C(NC)c2cccnc2)C1
InChIInChI=1S/C14H22N2/c1-3-11-6-7-12(9-11)14(15-2)13-5-4-8-16-10-13/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3
InChIKeyMRTIYAJSIAOHRK-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine (CID 65410433) is 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine is CCC1CCC(C(NC)c2cccnc2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is MRTIYAJSIAOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11-6-7-12(9-11)14(15-2)13-5-4-8-16-10-13/h4-5,8,10-12,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine?
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 65410433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).