2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol

C12H26N2O — CID 115251067

IUPAC2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCCC1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-3-11(10-15)8-13-6-4-12-5-7-14(2)9-12/h11-13,15H,3-10H2,1-2H3
InChIKeyHCDHVCYYGZVCFK-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.94
Rot. Bonds7

About 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol

2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol (PubChem CID 115251067) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
PubChem CID115251067
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CO)CNCCC1CCN(C)C1
InChIInChI=1S/C12H26N2O/c1-3-11(10-15)8-13-6-4-12-5-7-14(2)9-12/h11-13,15H,3-10H2,1-2H3
InChIKeyHCDHVCYYGZVCFK-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
CID 115250861
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
1-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243109
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol
CID 82889037

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol (CID 115251067) is 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol is CCC(CO)CNCCC1CCN(C)C1.
What is the InChIKey of 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is HCDHVCYYGZVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-11(10-15)8-13-6-4-12-5-7-14(2)9-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol?
2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 115251067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).