(4S)-4-butyl-2,2-dimethylpyrrolidine

C10H21N — CID 139399971

IUPAC(4S)-4-butyl-2,2-dimethylpyrrolidine
SMILESCCCC[C@@H]1CNC(C)(C)C1
InChIInChI=1S/C10H21N/c1-4-5-6-9-7-10(2,3)11-8-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyULHDDYOXOPBPLA-VIFPVBQESA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds3

About (4S)-4-butyl-2,2-dimethylpyrrolidine

(4S)-4-butyl-2,2-dimethylpyrrolidine (PubChem CID 139399971) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (4S)-4-butyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-butyl-2,2-dimethylpyrrolidine
PubChem CID139399971
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(4S)-4-butyl-2,2-dimethylpyrrolidine
SMILESCCCC[C@@H]1CNC(C)(C)C1
InChIInChI=1S/C10H21N/c1-4-5-6-9-7-10(2,3)11-8-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyULHDDYOXOPBPLA-VIFPVBQESA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Azaspiro[4.5]decane
CID 9092
2-Cyclohexylpyrrolidine
CID 4637746
2-(2-Methylpropyl)pyrrolidine
CID 3613277
Cyclohexaneethylamine, alpha,alpha-dimethyl-N-propyl-
CID 199973
Cyclohexaneethylamine, N-butyl-alpha,alpha-dimethyl-
CID 199974
3-Cyclohexylpyrrolidine
CID 3159730
1-Azaspiro[4.5]decane hydrochloride
CID 18780563
1-Azaspiro(4.4)nonane
CID 19770737
2-(Cyclohexylmethyl)pyrrolidine
CID 4442674
2-Sec-butylpyrrolidine
CID 3563411
3-Butylpyrrolidine
CID 17389761
2-Cyclopentylpyrrolidine
CID 4031549

Frequently Asked Questions

What is the IUPAC name of (4S)-4-butyl-2,2-dimethylpyrrolidine?
The IUPAC name of (4S)-4-butyl-2,2-dimethylpyrrolidine (CID 139399971) is (4S)-4-butyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for (4S)-4-butyl-2,2-dimethylpyrrolidine?
The canonical SMILES for (4S)-4-butyl-2,2-dimethylpyrrolidine is CCCC[C@@H]1CNC(C)(C)C1.
What is the InChIKey of (4S)-4-butyl-2,2-dimethylpyrrolidine?
The InChIKey is ULHDDYOXOPBPLA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N/c1-4-5-6-9-7-10(2,3)11-8-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-4-butyl-2,2-dimethylpyrrolidine?
(4S)-4-butyl-2,2-dimethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 139399971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).