2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol

C12H26N2O — CID 65235143

IUPAC2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol
SMILESCCCNC1(CCO)CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-4-7-13-12(6-9-15)5-8-14(10-12)11(2)3/h11,13,15H,4-10H2,1-3H3
InChIKeyUOIKWLFGASUGDU-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol

2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol (PubChem CID 65235143) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol
PubChem CID65235143
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol
SMILESCCCNC1(CCO)CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-4-7-13-12(6-9-15)5-8-14(10-12)11(2)3/h11,13,15H,4-10H2,1-3H3
InChIKeyUOIKWLFGASUGDU-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol (CID 65235143) is 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol is CCCNC1(CCO)CCN(C(C)C)C1.
What is the InChIKey of 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol?
The InChIKey is UOIKWLFGASUGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-13-12(6-9-15)5-8-14(10-12)11(2)3/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol?
2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 65235143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).