2-(3,4,4-trimethylpentan-2-yl)pyrrolidine

C12H25N — CID 135277685

IUPAC2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
SMILESCC(C1CCCN1)C(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(10(2)12(3,4)5)11-7-6-8-13-11/h9-11,13H,6-8H2,1-5H3
InChIKeyBXOASFSOVVCBMG-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds2

About 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine

2-(3,4,4-trimethylpentan-2-yl)pyrrolidine (PubChem CID 135277685) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
PubChem CID135277685
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
SMILESCC(C1CCCN1)C(C)C(C)(C)C
InChIInChI=1S/C12H25N/c1-9(10(2)12(3,4)5)11-7-6-8-13-11/h9-11,13H,6-8H2,1-5H3
InChIKeyBXOASFSOVVCBMG-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine 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

(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
N,N,2-trimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116906314
2-[(2S)-5,5-dimethylhexan-2-yl]pyrrolidine
CID 174103186
N,2-dimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116950860
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-(1-fluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058443
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-2-[bis(3,5-ditert-butylphenyl)methyl]pyrrolidine
CID 59628646
(2S)-2-[bis(4-tert-butylphenyl)methyl]pyrrolidine
CID 59628644

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine?
The IUPAC name of 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine (CID 135277685) is 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine?
The canonical SMILES for 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine is CC(C1CCCN1)C(C)C(C)(C)C.
What is the InChIKey of 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine?
The InChIKey is BXOASFSOVVCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(10(2)12(3,4)5)11-7-6-8-13-11/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine?
2-(3,4,4-trimethylpentan-2-yl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trimethylpentan-2-yl)pyrrolidine is sourced from PubChem (CID 135277685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).