[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol

C12H26N2O — CID 172620376

IUPAC[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol
SMILESCCCC(CNC)N1CC(CO)CC1C
InChIInChI=1S/C12H26N2O/c1-4-5-12(7-13-3)14-8-11(9-15)6-10(14)2/h10-13,15H,4-9H2,1-3H3
InChIKeyLTEIOBKUOGSAAP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds6

About [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol

[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 172620376) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol
PubChem CID172620376
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol
SMILESCCCC(CNC)N1CC(CO)CC1C
InChIInChI=1S/C12H26N2O/c1-4-5-12(7-13-3)14-8-11(9-15)6-10(14)2/h10-13,15H,4-9H2,1-3H3
InChIKeyLTEIOBKUOGSAAP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-methyl-2-(2-methylpiperidin-1-yl)pentan-1-amine
CID 83043313
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine
CID 83054296
2-(5-ethyl-2-methylpiperidin-1-yl)-N-propylpentan-1-amine
CID 112734568
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227314
2-(2,4-dimethylpiperidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 83054193
2-(4,4-dimethylpiperidin-1-yl)-N-methylpentan-1-amine
CID 83053930
butane-1,1-diol;[3-(hydroxymethyl)cyclohexyl]methanol
CID 67345161
N-methyl-2-(4-propan-2-ylpiperazin-1-yl)pentan-1-amine
CID 83054458
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine
CID 114087746
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol (CID 172620376) is [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol is CCCC(CNC)N1CC(CO)CC1C.
What is the InChIKey of [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is LTEIOBKUOGSAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-12(7-13-3)14-8-11(9-15)6-10(14)2/h10-13,15H,4-9H2,1-3H3.
What are the key properties of [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol?
[5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[1-(methylamino)pentan-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 172620376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).