1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol

C11H23NO — CID 65049844

IUPAC1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-6-5-7-11(9,13)8-12-10(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyFPURMMCSKDTGLN-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds2

About 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol

1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol (PubChem CID 65049844) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol
PubChem CID65049844
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC1(O)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-9-6-5-7-11(9,13)8-12-10(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyFPURMMCSKDTGLN-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol (CID 65049844) is 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol is CC1CCCC1(O)CNC(C)(C)C.
What is the InChIKey of 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is FPURMMCSKDTGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-6-5-7-11(9,13)8-12-10(2,3)4/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol?
1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 65049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).