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

C12H26N2O — CID 115689458

IUPAC2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
SMILESCC(CO)C(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)14-6-5-12(7-14)13-11(4)10(3)8-15/h9-13,15H,5-8H2,1-4H3
InChIKeyYZANPIZUIIOLHH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

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

2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol (PubChem CID 115689458) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
PubChem CID115689458
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
SMILESCC(CO)C(C)NC1CCN(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)14-6-5-12(7-14)13-11(4)10(3)8-15/h9-13,15H,5-8H2,1-4H3
InChIKeyYZANPIZUIIOLHH-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

(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
N-octan-4-yl-1-propan-2-ylpyrrolidin-3-amine
CID 103781482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol (CID 115689458) is 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol is CC(CO)C(C)NC1CCN(C(C)C)C1.
What is the InChIKey of 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol?
The InChIKey is YZANPIZUIIOLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)14-6-5-12(7-14)13-11(4)10(3)8-15/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol?
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-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 2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol is sourced from PubChem (CID 115689458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).