2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol

C14H27NO — CID 63218233

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1(C)CCCN1CC1CCCCCC1O
InChIInChI=1S/C14H27NO/c1-14(2)9-6-10-15(14)11-12-7-4-3-5-8-13(12)16/h12-13,16H,3-11H2,1-2H3
InChIKeyQRCAWJFZVFRXDO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds2

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol (PubChem CID 63218233) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
PubChem CID63218233
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
SMILESCC1(C)CCCN1CC1CCCCCC1O
InChIInChI=1S/C14H27NO/c1-14(2)9-6-10-15(14)11-12-7-4-3-5-8-13(12)16/h12-13,16H,3-11H2,1-2H3
InChIKeyQRCAWJFZVFRXDO-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol with MolForge

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Related Compounds

(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl)methanol
CID 22056633
1-Methyl-1lambda~5~-azatricyclo[4.3.0.0~3,9~]nonan-4-ol
CID 422759
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609215
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609555
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609559
2-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
CID 62609564
2-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cycloheptan-1-ol
CID 65530111
2-[[3-(Trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol
CID 114272077
2-[[2,2-Difluoroethyl(methyl)amino]methyl]cycloheptan-1-ol
CID 116317759
7,7-Dimethyl-7-azoniabicyclo[4.2.1]nonan-9-ol bromide
CID 24191935
1-Methyl-1-azoniatricyclo[4.3.0.03,9]nonan-4-ol chloride
CID 24193046
1-Methyl-1-azoniatricyclo[4.3.0.03,9]nonan-4-ol bromide
CID 24193047

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol (CID 63218233) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol is CC1(C)CCCN1CC1CCCCCC1O.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
The InChIKey is QRCAWJFZVFRXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)9-6-10-15(14)11-12-7-4-3-5-8-13(12)16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 63218233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).