2-[butan-2-yl(butyl)amino]cyclooctan-1-ol

C16H33NO — CID 63473248

IUPAC2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
SMILESCCCCN(C(C)CC)C1CCCCCCC1O
InChIInChI=1S/C16H33NO/c1-4-6-13-17(14(3)5-2)15-11-9-7-8-10-12-16(15)18/h14-16,18H,4-13H2,1-3H3
InChIKeyUIWGWZOFMDMPIM-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.97
Rot. Bonds6

About 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol

2-[butan-2-yl(butyl)amino]cyclooctan-1-ol (PubChem CID 63473248) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
PubChem CID63473248
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
SMILESCCCCN(C(C)CC)C1CCCCCCC1O
InChIInChI=1S/C16H33NO/c1-4-6-13-17(14(3)5-2)15-11-9-7-8-10-12-16(15)18/h14-16,18H,4-13H2,1-3H3
InChIKeyUIWGWZOFMDMPIM-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl(butyl)amino]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 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol?
The IUPAC name of 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol (CID 63473248) is 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol is CCCCN(C(C)CC)C1CCCCCCC1O.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol?
The InChIKey is UIWGWZOFMDMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-13-17(14(3)5-2)15-11-9-7-8-10-12-16(15)18/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol?
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]cyclooctan-1-ol is sourced from PubChem (CID 63473248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).