3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol

C13H28N2O — CID 64790955

IUPAC3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCCC1CC
InChIInChI=1S/C13H28N2O/c1-4-8-14-13(3,11-16)10-15-9-6-7-12(15)5-2/h12,14,16H,4-11H2,1-3H3
InChIKeyZNIRXDVREOGASM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds7

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

3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64790955) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64790955
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1CCCC1CC
InChIInChI=1S/C13H28N2O/c1-4-8-14-13(3,11-16)10-15-9-6-7-12(15)5-2/h12,14,16H,4-11H2,1-3H3
InChIKeyZNIRXDVREOGASM-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
2-(ethylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64798507
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
2-cyclopropyl-3-(2-ethylpiperidin-1-yl)-2-(propylamino)propan-1-ol
CID 64795703
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol (CID 64790955) is 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN1CCCC1CC.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is ZNIRXDVREOGASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-8-14-13(3,11-16)10-15-9-6-7-12(15)5-2/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol?
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64790955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).