4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol

C13H25NO — CID 65086095

IUPAC4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCCN2)CC1
InChIInChI=1S/C13H25NO/c1-12(2)6-4-7-13(15,9-8-12)11-5-3-10-14-11/h11,14-15H,3-10H2,1-2H3
InChIKeyIXYSIHNGQDWRTM-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds1

About 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol

4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol (PubChem CID 65086095) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
PubChem CID65086095
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2CCCN2)CC1
InChIInChI=1S/C13H25NO/c1-12(2)6-4-7-13(15,9-8-12)11-5-3-10-14-11/h11,14-15H,3-10H2,1-2H3
InChIKeyIXYSIHNGQDWRTM-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
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CID 80561124
4-(azepan-2-yl)azepan-4-ol
CID 103982887
3-[(2R)-pyrrolidin-2-yl]oxetan-3-ol
CID 125461843
1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314996
1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
CID 65095040
4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
CID 65077274
1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 65086096
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460
3-[(2R)-piperidin-2-yl]azetidin-3-ol
CID 89166884
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol (CID 65086095) is 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol is CC1(C)CCCC(O)(C2CCCN2)CC1.
What is the InChIKey of 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol?
The InChIKey is IXYSIHNGQDWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)6-4-7-13(15,9-8-12)11-5-3-10-14-11/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol?
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol is sourced from PubChem (CID 65086095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).