2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine

C16H25N — CID 115058613

IUPAC2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2(CC(C)(C)C)CCCN2)c1
InChIInChI=1S/C16H25N/c1-13-7-5-8-14(11-13)16(9-6-10-17-16)12-15(2,3)4/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyIVRNIBJZDHLURY-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.01
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine

2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine (PubChem CID 115058613) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
PubChem CID115058613
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2(CC(C)(C)C)CCCN2)c1
InChIInChI=1S/C16H25N/c1-13-7-5-8-14(11-13)16(9-6-10-17-16)12-15(2,3)4/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyIVRNIBJZDHLURY-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-2-(3-methylphenyl)azepane
CID 115059409
2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
CID 115058723
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
CID 116544640
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
2-[1-(3-methylphenyl)cyclopropyl]propan-2-amine
CID 83673809
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine (CID 115058613) is 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine is Cc1cccc(C2(CC(C)(C)C)CCCN2)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine?
The InChIKey is IVRNIBJZDHLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-7-5-8-14(11-13)16(9-6-10-17-16)12-15(2,3)4/h5,7-8,11,17H,6,9-10,12H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine?
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 115058613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).