2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol

C16H34N2O — CID 114800100

IUPAC2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
SMILESCCCNC(CCN1CCC(CCO)C1)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-5-9-17-15(16(2,3)4)7-11-18-10-6-14(13-18)8-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyLWMDVGMGVBRQFK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds8

About 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol

2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800100) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
PubChem CID114800100
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol
SMILESCCCNC(CCN1CCC(CCO)C1)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-5-9-17-15(16(2,3)4)7-11-18-10-6-14(13-18)8-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyLWMDVGMGVBRQFK-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
4,4-dimethyl-N-propyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-3-amine
CID 114539613
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
2-[1-(3-methyl-5-sulfanylpentyl)pyrrolidin-3-yl]ethanol
CID 114802751
1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 63973458
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol (CID 114800100) is 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol is CCCNC(CCN1CCC(CCO)C1)C(C)(C)C.
What is the InChIKey of 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol?
The InChIKey is LWMDVGMGVBRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-17-15(16(2,3)4)7-11-18-10-6-14(13-18)8-12-19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol?
2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4,4-dimethyl-3-(propylamino)pentyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).