1-[(tert-butylamino)methyl]cyclooctan-1-ol

C13H27NO — CID 62774336

IUPAC1-[(tert-butylamino)methyl]cyclooctan-1-ol
SMILESCC(C)(C)NCC1(O)CCCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-11-13(15)9-7-5-4-6-8-10-13/h14-15H,4-11H2,1-3H3
InChIKeyNFPATINSTFPCOM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.85
Rot. Bonds2

About 1-[(tert-butylamino)methyl]cyclooctan-1-ol

1-[(tert-butylamino)methyl]cyclooctan-1-ol (PubChem CID 62774336) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]cyclooctan-1-ol
PubChem CID62774336
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[(tert-butylamino)methyl]cyclooctan-1-ol
SMILESCC(C)(C)NCC1(O)CCCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)14-11-13(15)9-7-5-4-6-8-10-13/h14-15H,4-11H2,1-3H3
InChIKeyNFPATINSTFPCOM-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(tert-butylamino)methyl]cyclooctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]cyclooctan-1-ol?
The IUPAC name of 1-[(tert-butylamino)methyl]cyclooctan-1-ol (CID 62774336) is 1-[(tert-butylamino)methyl]cyclooctan-1-ol.
What is the SMILES notation for 1-[(tert-butylamino)methyl]cyclooctan-1-ol?
The canonical SMILES for 1-[(tert-butylamino)methyl]cyclooctan-1-ol is CC(C)(C)NCC1(O)CCCCCCC1.
What is the InChIKey of 1-[(tert-butylamino)methyl]cyclooctan-1-ol?
The InChIKey is NFPATINSTFPCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)14-11-13(15)9-7-5-4-6-8-10-13/h14-15H,4-11H2,1-3H3.
What are the key properties of 1-[(tert-butylamino)methyl]cyclooctan-1-ol?
1-[(tert-butylamino)methyl]cyclooctan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.85, 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]cyclooctan-1-ol is sourced from PubChem (CID 62774336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).