1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol

C10H22N2O — CID 106025279

IUPAC1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCC1CCCN1C
InChIInChI=1S/C10H22N2O/c1-3-10(13)8-11-7-9-5-4-6-12(9)2/h9-11,13H,3-8H2,1-2H3
InChIKeyJQQNCPLUGUUUDU-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds5

About 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol

1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol (PubChem CID 106025279) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
PubChem CID106025279
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
SMILESCCC(O)CNCC1CCCN1C
InChIInChI=1S/C10H22N2O/c1-3-10(13)8-11-7-9-5-4-6-12(9)2/h9-11,13H,3-8H2,1-2H3
InChIKeyJQQNCPLUGUUUDU-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106025608
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
CID 62655060
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol?
The IUPAC name of 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol (CID 106025279) is 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol is CCC(O)CNCC1CCCN1C.
What is the InChIKey of 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol?
The InChIKey is JQQNCPLUGUUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-10(13)8-11-7-9-5-4-6-12(9)2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol?
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 106025279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).