4-[2-(methylamino)cyclohexyl]oxybutan-1-ol

C11H23NO2 — CID 106939139

IUPAC4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
SMILESCNC1CCCCC1OCCCCO
InChIInChI=1S/C11H23NO2/c1-12-10-6-2-3-7-11(10)14-9-5-4-8-13/h10-13H,2-9H2,1H3
InChIKeyDNMGSHHWGMBUDD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol

4-[2-(methylamino)cyclohexyl]oxybutan-1-ol (PubChem CID 106939139) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
PubChem CID106939139
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[2-(methylamino)cyclohexyl]oxybutan-1-ol
SMILESCNC1CCCCC1OCCCCO
InChIInChI=1S/C11H23NO2/c1-12-10-6-2-3-7-11(10)14-9-5-4-8-13/h10-13H,2-9H2,1H3
InChIKeyDNMGSHHWGMBUDD-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(methylamino)cyclohexyl]oxybutan-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

Related Compounds

N-methyl-2-(4,4,4-trifluorobutoxy)cycloheptan-1-amine
CID 82788736
2-methyl-4-[2-(methylamino)cyclohexyl]oxybutan-2-ol
CID 106939133
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
CID 112587404
N-cyclopropyl-3-[2-(methylamino)cyclohexyl]oxypropanamide
CID 102633353
1-butoxy-3-[2-(methylamino)cyclohexyl]oxypropan-2-ol
CID 107263496
N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
CID 106727010
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-(2,2-difluoroethoxy)-N-methylcyclooctan-1-amine
CID 82004539
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 102633181

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol?
The IUPAC name of 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol (CID 106939139) is 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol.
What is the SMILES notation for 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol?
The canonical SMILES for 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol is CNC1CCCCC1OCCCCO.
What is the InChIKey of 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol?
The InChIKey is DNMGSHHWGMBUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12-10-6-2-3-7-11(10)14-9-5-4-8-13/h10-13H,2-9H2,1H3.
What are the key properties of 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol?
4-[2-(methylamino)cyclohexyl]oxybutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)cyclohexyl]oxybutan-1-ol is sourced from PubChem (CID 106939139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).