2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile

C11H20N2 — CID 126988793

IUPAC2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
SMILESCC(C)(C)CC1CCCN1CC#N
InChIInChI=1S/C11H20N2/c1-11(2,3)9-10-5-4-7-13(10)8-6-12/h10H,4-5,7-9H2,1-3H3
InChIKeyPBWBCYMTJPCKFZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds2

About 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile

2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile (PubChem CID 126988793) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
PubChem CID126988793
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
SMILESCC(C)(C)CC1CCCN1CC#N
InChIInChI=1S/C11H20N2/c1-11(2,3)9-10-5-4-7-13(10)8-6-12/h10H,4-5,7-9H2,1-3H3
InChIKeyPBWBCYMTJPCKFZ-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
CID 165013816
2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
2-[2-(3-hydroxypropyl)piperidin-1-yl]acetonitrile
CID 139986737
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
CID 58110544
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
CID 131084599
(2S)-2-(2,2-dimethylpropyl)-1-[(4-nitrophenyl)methyl]pyrrolidine
CID 59154581
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-sulfonamide
CID 94763811
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
CID 84681793

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile (CID 126988793) is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile is CC(C)(C)CC1CCCN1CC#N.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile?
The InChIKey is PBWBCYMTJPCKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,3)9-10-5-4-7-13(10)8-6-12/h10H,4-5,7-9H2,1-3H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile?
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile is sourced from PubChem (CID 126988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).