2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

C16H33NO — CID 55106445

IUPAC2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCN(CC)CC1CC(C(C)C)CCC1O
InChIInChI=1S/C16H33NO/c1-5-7-10-17(6-2)12-15-11-14(13(3)4)8-9-16(15)18/h13-16,18H,5-12H2,1-4H3
InChIKeyJHQYQRIDNOKHLX-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.54
Rot. Bonds7

About 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55106445) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID55106445
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCN(CC)CC1CC(C(C)C)CCC1O
InChIInChI=1S/C16H33NO/c1-5-7-10-17(6-2)12-15-11-14(13(3)4)8-9-16(15)18/h13-16,18H,5-12H2,1-4H3
InChIKeyJHQYQRIDNOKHLX-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-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-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 55106445) is 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is CCCCN(CC)CC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JHQYQRIDNOKHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-7-10-17(6-2)12-15-11-14(13(3)4)8-9-16(15)18/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55106445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).