3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol

C15H32N2O — CID 113419309

IUPAC3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-8-16-15(5,12-18)11-17-9-7-13(10-17)14(2,3)4/h13,16,18H,6-12H2,1-5H3
InChIKeyFSDYJEWOTZYGDV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds6

About 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol

3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 113419309) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
PubChem CID113419309
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-8-16-15(5,12-18)11-17-9-7-13(10-17)14(2,3)4/h13,16,18H,6-12H2,1-5H3
InChIKeyFSDYJEWOTZYGDV-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
CID 104961376
2-methyl-2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64792291
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64789656
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol (CID 113419309) is 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is FSDYJEWOTZYGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-8-16-15(5,12-18)11-17-9-7-13(10-17)14(2,3)4/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 113419309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).