2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

C18H36N2O — CID 106809757

IUPAC2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC1(CC)CCN(CCCC(CC)(CO)NC2CC2)C1
InChIInChI=1S/C18H36N2O/c1-4-17(5-2)11-13-20(14-17)12-7-10-18(6-3,15-21)19-16-8-9-16/h16,19,21H,4-15H2,1-3H3
InChIKeyPURQXCXTTZEJBP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds10

About 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (PubChem CID 106809757) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
PubChem CID106809757
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
SMILESCCC1(CC)CCN(CCCC(CC)(CO)NC2CC2)C1
InChIInChI=1S/C18H36N2O/c1-4-17(5-2)11-13-20(14-17)12-7-10-18(6-3,15-21)19-16-8-9-16/h16,19,21H,4-15H2,1-3H3
InChIKeyPURQXCXTTZEJBP-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809760
2-(cyclopropylamino)-5-(2,2-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106808854
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663
2-(cyclopropylamino)-2-ethyl-5-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-ol
CID 106809843
2-(cyclopropylamino)-2-ethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 106808951
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
2-(cyclopropylamino)-2-ethyl-5-(2-methylpiperidin-1-yl)pentan-1-ol
CID 106809062
2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
2-(cyclopropylamino)-2-ethyl-5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 106809241
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
2-(cyclopropylamino)-5-(2,4-dimethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809879

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol (CID 106809757) is 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is CCC1(CC)CCN(CCCC(CC)(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
The InChIKey is PURQXCXTTZEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-17(5-2)11-13-20(14-17)12-7-10-18(6-3,15-21)19-16-8-9-16/h16,19,21H,4-15H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol is sourced from PubChem (CID 106809757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).