2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol

C12H24N2O — CID 106618252

IUPAC2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESC=C(CC)CN(CCO)CC1CCCN1
InChIInChI=1S/C12H24N2O/c1-3-11(2)9-14(7-8-15)10-12-5-4-6-13-12/h12-13,15H,2-10H2,1H3
InChIKeyPXLVCIUZIUGAJO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds7

About 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol

2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106618252) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106618252
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESC=C(CC)CN(CCO)CC1CCCN1
InChIInChI=1S/C12H24N2O/c1-3-11(2)9-14(7-8-15)10-12-5-4-6-13-12/h12-13,15H,2-10H2,1H3
InChIKeyPXLVCIUZIUGAJO-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
N-methyl-2-methylidene-N-(2-pyrrolidin-2-ylethyl)butan-1-amine
CID 142068130
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106617970
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106618252) is 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol is C=C(CC)CN(CCO)CC1CCCN1.
What is the InChIKey of 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is PXLVCIUZIUGAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-11(2)9-14(7-8-15)10-12-5-4-6-13-12/h12-13,15H,2-10H2,1H3.
What are the key properties of 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106618252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).