3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol

C12H26N2O — CID 114496641

IUPAC3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCCC1CNC
InChIInChI=1S/C12H26N2O/c1-4-12(15,5-2)10-14-8-6-7-11(14)9-13-3/h11,13,15H,4-10H2,1-3H3
InChIKeyXHOILBHXLRGJPQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol

3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol (PubChem CID 114496641) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
PubChem CID114496641
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCCC1CNC
InChIInChI=1S/C12H26N2O/c1-4-12(15,5-2)10-14-8-6-7-11(14)9-13-3/h11,13,15H,4-10H2,1-3H3
InChIKeyXHOILBHXLRGJPQ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol with MolForge

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Related Compounds

3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 114496972
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114496491
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)pentan-3-ol
CID 102681942
1-[1-(ethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 65366865
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol (CID 114496641) is 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CCCC1CNC.
What is the InChIKey of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol?
The InChIKey is XHOILBHXLRGJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(15,5-2)10-14-8-6-7-11(14)9-13-3/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol?
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 114496641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).