2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine

C18H35NO — CID 79572133

IUPAC2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOC1CCCC(CC)C1
InChIInChI=1S/C18H35NO/c1-3-12-19-18-10-6-8-16(18)11-13-20-17-9-5-7-15(4-2)14-17/h15-19H,3-14H2,1-2H3
InChIKeyMNTULZXMRIRSPU-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds8

About 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine

2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine (PubChem CID 79572133) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
PubChem CID79572133
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOC1CCCC(CC)C1
InChIInChI=1S/C18H35NO/c1-3-12-19-18-10-6-8-16(18)11-13-20-17-9-5-7-15(4-2)14-17/h15-19H,3-14H2,1-2H3
InChIKeyMNTULZXMRIRSPU-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
CID 79572685
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[2-(3-propoxypiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79577334
2-[2-(2-methylbutan-2-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573262
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
3-[2-(3-ethylcyclohexyl)oxyethyl]pyrrolidine
CID 114796060
2-[1-[[2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]oxyethanol
CID 82690868
2-[2-(cyclopentylmethylsulfinyl)ethyl]-N-propylcyclopentan-1-amine
CID 79588291
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine (CID 79572133) is 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCOC1CCCC(CC)C1.
What is the InChIKey of 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine?
The InChIKey is MNTULZXMRIRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-12-19-18-10-6-8-16(18)11-13-20-17-9-5-7-15(4-2)14-17/h15-19H,3-14H2,1-2H3.
What are the key properties of 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine?
2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79572133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).