1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol

C12H26N2O — CID 79315558

IUPAC1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-6-12(15)10-13(2)9-11-7-5-8-14(11)3/h11-12,15H,4-10H2,1-3H3
InChIKeyIXQBMUZDQXBPEL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds6

About 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol

1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol (PubChem CID 79315558) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
PubChem CID79315558
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
SMILESCCCC(O)CN(C)CC1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-6-12(15)10-13(2)9-11-7-5-8-14(11)3/h11-12,15H,4-10H2,1-3H3
InChIKeyIXQBMUZDQXBPEL-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992140
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
(2S)-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 107567233

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol?
The IUPAC name of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol (CID 79315558) is 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol?
The canonical SMILES for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol is CCCC(O)CN(C)CC1CCCN1C.
What is the InChIKey of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol?
The InChIKey is IXQBMUZDQXBPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-12(15)10-13(2)9-11-7-5-8-14(11)3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol?
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol is sourced from PubChem (CID 79315558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).