N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H24N2OS — CID 104611138

IUPACN-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)C1(OC)CCCC1
InChIInChI=1S/C14H24N2OS/c1-4-15-12(9-13-16-11(2)10-18-13)14(17-3)7-5-6-8-14/h10,12,15H,4-9H2,1-3H3
InChIKeyFHNQZPRVGWMILQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 104611138) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID104611138
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nc(C)cs1)C1(OC)CCCC1
InChIInChI=1S/C14H24N2OS/c1-4-15-12(9-13-16-11(2)10-18-13)14(17-3)7-5-6-8-14/h10,12,15H,4-9H2,1-3H3
InChIKeyFHNQZPRVGWMILQ-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 104611138) is N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nc(C)cs1)C1(OC)CCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is FHNQZPRVGWMILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-15-12(9-13-16-11(2)10-18-13)14(17-3)7-5-6-8-14/h10,12,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 104611138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).