3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile

C11H21N3O — CID 106617970

IUPAC3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(CCO)CC1CCCN1
InChIInChI=1S/C11H21N3O/c1-10(7-12)8-14(5-6-15)9-11-3-2-4-13-11/h10-11,13,15H,2-6,8-9H2,1H3
InChIKeyYLOAFAHSQWVFGW-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.19
Rot. Bonds6

About 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile

3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile (PubChem CID 106617970) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
PubChem CID106617970
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(CCO)CC1CCCN1
InChIInChI=1S/C11H21N3O/c1-10(7-12)8-14(5-6-15)9-11-3-2-4-13-11/h10-11,13,15H,2-6,8-9H2,1H3
InChIKeyYLOAFAHSQWVFGW-UHFFFAOYSA-N
XLogP0.19
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile (CID 106617970) is 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile is CC(C#N)CN(CCO)CC1CCCN1.
What is the InChIKey of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is YLOAFAHSQWVFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(7-12)8-14(5-6-15)9-11-3-2-4-13-11/h10-11,13,15H,2-6,8-9H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile?
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 106617970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).