5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol

C16H29NO — CID 79857271

IUPAC5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
SMILESCN(CC1CC2CCC1C2)C1CCC(C)(C)C1O
InChIInChI=1S/C16H29NO/c1-16(2)7-6-14(15(16)18)17(3)10-13-9-11-4-5-12(13)8-11/h11-15,18H,4-10H2,1-3H3
InChIKeyZHFSERMRDPFABN-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.90
Rot. Bonds3

About 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol

5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol (PubChem CID 79857271) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
PubChem CID79857271
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
SMILESCN(CC1CC2CCC1C2)C1CCC(C)(C)C1O
InChIInChI=1S/C16H29NO/c1-16(2)7-6-14(15(16)18)17(3)10-13-9-11-4-5-12(13)8-11/h11-15,18H,4-10H2,1-3H3
InChIKeyZHFSERMRDPFABN-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol (CID 79857271) is 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol is CN(CC1CC2CCC1C2)C1CCC(C)(C)C1O.
What is the InChIKey of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol?
The InChIKey is ZHFSERMRDPFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(2)7-6-14(15(16)18)17(3)10-13-9-11-4-5-12(13)8-11/h11-15,18H,4-10H2,1-3H3.
What are the key properties of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol?
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79857271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).