5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol

C13H25NO — CID 155794042

IUPAC5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1C1(CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)9-13(5-6-13)11-7-10(15)8-14(11)4/h10-11,15H,5-9H2,1-4H3
InChIKeySDRAPPCIPNKDIG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds2

About 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol

5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol (PubChem CID 155794042) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol
PubChem CID155794042
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1C1(CC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-12(2,3)9-13(5-6-13)11-7-10(15)8-14(11)4/h10-11,15H,5-9H2,1-4H3
InChIKeySDRAPPCIPNKDIG-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4S)-1-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)pyrrolidin-3-ol
CID 169667021
1,5-Ditert-butylpyrrolidin-3-ol
CID 20622289
5-(2,2-Dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 58530662
5-(2,2-Dimethylpropyl)-1-propylpyrrolidin-3-ol
CID 58530771
5-(2,2-Dimethylpropyl)-1-methylpyrrolidin-3-ol
CID 58530848
(1S)-2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 58594585
(5S)-1,5-ditert-butylpyrrolidin-3-ol
CID 59067592
trans-(1R,2R)-5,5-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 59200793
trans-(1R,2R)-4,4-diethyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 59200822
[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]methanol
CID 59551270
(3S,4R)-2-Methyl-3-(1-pyrrolidinyl)octan-4-ol
CID 59660035
(3R)-5-tert-butyl-1-cyclopropylpyrrolidin-3-ol
CID 67953162

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol (CID 155794042) is 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol is CN1CC(O)CC1C1(CC(C)(C)C)CC1.
What is the InChIKey of 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol?
The InChIKey is SDRAPPCIPNKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)9-13(5-6-13)11-7-10(15)8-14(11)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol?
5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethylpropyl)cyclopropyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 155794042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).