3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol

C12H26N2O — CID 115689315

IUPAC3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)12(15)7-13-11-5-6-14(8-11)10(3)4/h9-13,15H,5-8H2,1-4H3
InChIKeyDRWHOFIMXKPDHF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol

3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol (PubChem CID 115689315) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
PubChem CID115689315
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol
SMILESCC(C)C(O)CNC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)12(15)7-13-11-5-6-14(8-11)10(3)4/h9-13,15H,5-8H2,1-4H3
InChIKeyDRWHOFIMXKPDHF-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103788055
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
N-(2-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62396542
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol?
The IUPAC name of 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol (CID 115689315) is 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol?
The canonical SMILES for 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol is CC(C)C(O)CNC1CCN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol?
The InChIKey is DRWHOFIMXKPDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)12(15)7-13-11-5-6-14(8-11)10(3)4/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol?
3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-2-ol is sourced from PubChem (CID 115689315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).