1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol

C11H24N2O — CID 10013037

IUPAC1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)(C)NCC(O)CN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,3)12-8-10(14)9-13-6-4-5-7-13/h10,12,14H,4-9H2,1-3H3
InChIKeyOQEAJDQOPDJQNZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds4

About 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 10013037) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID10013037
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)(C)NCC(O)CN1CCCC1
InChIInChI=1S/C11H24N2O/c1-11(2,3)12-8-10(14)9-13-6-4-5-7-13/h10,12,14H,4-9H2,1-3H3
InChIKeyOQEAJDQOPDJQNZ-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-3-(pyrrolidin-1-yl)propan-2-ol
CID 12174993
1,3-Bis(tert-butylamino)propan-2-ol;dihydrochloride
CID 45262643
1,3-Bis(tert-butylamino)propan-2-ol
CID 4408839
Cambridge id 5267733
CID 2838508
1-(Tert-butylamino)-3-(methylamino)propan-2-ol
CID 2838509
1-Amino-3-((1,1-dimethylethyl)amino)propan-2-ol
CID 3016525
(2S)-1-[3-(dimethylamino)propylamino]propan-2-ol
CID 28380769
1,1,1-Trifluoro-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 63901901
1,1,1-Trifluoro-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 63902106
1-Pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 103778744
1-Pyrrolidin-1-yl-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212250
1-Amino-3-(3-fluoropyrrolidin-1-yl)butan-2-ol
CID 164657967

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 10013037) is 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol is CC(C)(C)NCC(O)CN1CCCC1.
What is the InChIKey of 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is OQEAJDQOPDJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)12-8-10(14)9-13-6-4-5-7-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 10013037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).