2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile

C10H18N2 — CID 117017458

IUPAC2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile
SMILESCCN1CCC(CC#N)C1(C)C
InChIInChI=1S/C10H18N2/c1-4-12-8-6-9(5-7-11)10(12,2)3/h9H,4-6,8H2,1-3H3
InChIKeyHXJABQPCTUBDJL-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile

2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile (PubChem CID 117017458) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile
PubChem CID117017458
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile
SMILESCCN1CCC(CC#N)C1(C)C
InChIInChI=1S/C10H18N2/c1-4-12-8-6-9(5-7-11)10(12,2)3/h9H,4-6,8H2,1-3H3
InChIKeyHXJABQPCTUBDJL-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,2-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117017498
1-ethyl-2-methylpyrrolidine-2,3-diamine
CID 68953775
2-[(1R,3R)-2,2,3-trimethylcyclopentyl]acetonitrile
CID 45098299
2-[1-(2-methoxyethyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024723
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020477
1-(2,2-dimethyl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
CID 117017786
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024724
2-(2,2-dimethyl-1-prop-2-enylpiperidin-4-yl)acetonitrile
CID 117020468
2-[(1S)-2,2-dimethyl-3-oxocyclopentyl]acetonitrile
CID 11030006
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile (CID 117017458) is 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile is CCN1CCC(CC#N)C1(C)C.
What is the InChIKey of 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile?
The InChIKey is HXJABQPCTUBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12-8-6-9(5-7-11)10(12,2)3/h9H,4-6,8H2,1-3H3.
What are the key properties of 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile?
2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 117017458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).