[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol

C10H21NO — CID 59004408

IUPAC[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)C[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)4-8-5-11-6-9(8)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJYJKDUBEKFUIQR-BDAKNGLRSA-N
MW171.28 g/mol
LogP1.25
Rot. Bonds2

About [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol

[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 59004408) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol
PubChem CID59004408
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)C[C@@H]1CNC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)4-8-5-11-6-9(8)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJYJKDUBEKFUIQR-BDAKNGLRSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol (CID 59004408) is [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol is CC(C)(C)C[C@@H]1CNC[C@H]1CO.
What is the InChIKey of [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is JYJKDUBEKFUIQR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)4-8-5-11-6-9(8)7-12/h8-9,11-12H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol?
[(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(2,2-dimethylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 59004408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).