1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine

C13H20N2O — CID 104610554

IUPAC1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine
SMILESCOC1(C(N)Cc2ccncc2)CCCC1
InChIInChI=1S/C13H20N2O/c1-16-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h4-5,8-9,12H,2-3,6-7,10,14H2,1H3
InChIKeyQSECCBJWVMGKOV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine

1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine (PubChem CID 104610554) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine
PubChem CID104610554
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine
SMILESCOC1(C(N)Cc2ccncc2)CCCC1
InChIInChI=1S/C13H20N2O/c1-16-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h4-5,8-9,12H,2-3,6-7,10,14H2,1H3
InChIKeyQSECCBJWVMGKOV-UHFFFAOYSA-N
XLogP1.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine (CID 104610554) is 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine is COC1(C(N)Cc2ccncc2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine?
The InChIKey is QSECCBJWVMGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13(6-2-3-7-13)12(14)10-11-4-8-15-9-5-11/h4-5,8-9,12H,2-3,6-7,10,14H2,1H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine?
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 104610554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).