4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol

C17H35NO — CID 71071404

IUPAC4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
SMILESCCCCN(CCCCO)C1CCCCCCC1C
InChIInChI=1S/C17H35NO/c1-3-4-13-18(14-9-10-15-19)17-12-8-6-5-7-11-16(17)2/h16-17,19H,3-15H2,1-2H3
InChIKeyAHMHCXQESRRXOW-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.22
Rot. Bonds8

About 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol

4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol (PubChem CID 71071404) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
PubChem CID71071404
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
SMILESCCCCN(CCCCO)C1CCCCCCC1C
InChIInChI=1S/C17H35NO/c1-3-4-13-18(14-9-10-15-19)17-12-8-6-5-7-11-16(17)2/h16-17,19H,3-15H2,1-2H3
InChIKeyAHMHCXQESRRXOW-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071089
2-[butyl-(2-methylcyclopentyl)amino]ethanol
CID 89249359
2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
CID 129411602
2-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249208
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
2-(dihexylamino)cyclohexan-1-ol
CID 139882524
trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265
9-[8-[butyl(propyl)amino]non-8-enyl-[(2R)-2-methylcyclopentyl]amino]nonan-2-one
CID 172581250
2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
CID 63472104
1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071350
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443

Frequently Asked Questions

What is the IUPAC name of 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol?
The IUPAC name of 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol (CID 71071404) is 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol.
What is the SMILES notation for 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol?
The canonical SMILES for 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol is CCCCN(CCCCO)C1CCCCCCC1C.
What is the InChIKey of 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol?
The InChIKey is AHMHCXQESRRXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-4-13-18(14-9-10-15-19)17-12-8-6-5-7-11-16(17)2/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol?
4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol is sourced from PubChem (CID 71071404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).