N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C17H31N3O — CID 116762441

IUPACN-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)C1(OCC)CCCC1
InChIInChI=1S/C17H31N3O/c1-4-11-18-15(14-16-19-12-13-20(16)5-2)17(21-6-3)9-7-8-10-17/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyRXRWIMXUBMRIIV-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.16
Rot. Bonds9

About N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 116762441) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID116762441
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)C1(OCC)CCCC1
InChIInChI=1S/C17H31N3O/c1-4-11-18-15(14-16-19-12-13-20(16)5-2)17(21-6-3)9-7-8-10-17/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyRXRWIMXUBMRIIV-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclohexyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 116763883
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193
[2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268880
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292
[1-(4-ethoxyoxan-4-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105276954
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831292
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
CID 116756208
N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
[2-(1-ethylimidazol-2-yl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105321866
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116762382

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 116762441) is N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)C1(OCC)CCCC1.
What is the InChIKey of N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RXRWIMXUBMRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-11-18-15(14-16-19-12-13-20(16)5-2)17(21-6-3)9-7-8-10-17/h12-13,15,18H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116762441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).