[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol

C13H26N2O — CID 115103178

IUPAC[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CCC(CC2(CO)CCCN2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)15-7-4-12(9-15)8-13(10-16)5-3-6-14-13/h11-12,14,16H,3-10H2,1-2H3
InChIKeyMGYHXIJXGMHZPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds4

About [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol

[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 115103178) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID115103178
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)N1CCC(CC2(CO)CCCN2)C1
InChIInChI=1S/C13H26N2O/c1-11(2)15-7-4-12(9-15)8-13(10-16)5-3-6-14-13/h11-12,14,16H,3-10H2,1-2H3
InChIKeyMGYHXIJXGMHZPK-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547
[2-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 83080759
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
[2-(piperidin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115103316
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol
CID 117258456
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
2,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117228750
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498

Frequently Asked Questions

What is the IUPAC name of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 115103178) is [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol is CC(C)N1CCC(CC2(CO)CCCN2)C1.
What is the InChIKey of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MGYHXIJXGMHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)15-7-4-12(9-15)8-13(10-16)5-3-6-14-13/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol?
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115103178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).