1-[cyclooctyl(methyl)amino]butan-2-ol

C13H27NO — CID 130316324

IUPAC1-[cyclooctyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)C1CCCCCCC1
InChIInChI=1S/C13H27NO/c1-3-13(15)11-14(2)12-9-7-5-4-6-8-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyJAHNBFUOSWTOIS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds4

About 1-[cyclooctyl(methyl)amino]butan-2-ol

1-[cyclooctyl(methyl)amino]butan-2-ol (PubChem CID 130316324) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[cyclooctyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[cyclooctyl(methyl)amino]butan-2-ol
PubChem CID130316324
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[cyclooctyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)C1CCCCCCC1
InChIInChI=1S/C13H27NO/c1-3-13(15)11-14(2)12-9-7-5-4-6-8-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyJAHNBFUOSWTOIS-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[cyclooctyl(methyl)amino]butan-2-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

1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
1-[cycloheptyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60704158
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
methyl 5-[cyclohexyl(methyl)amino]-4-hydroxypentanoate
CID 115123560
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
CID 82217010
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472

Frequently Asked Questions

What is the IUPAC name of 1-[cyclooctyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[cyclooctyl(methyl)amino]butan-2-ol (CID 130316324) is 1-[cyclooctyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[cyclooctyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[cyclooctyl(methyl)amino]butan-2-ol is CCC(O)CN(C)C1CCCCCCC1.
What is the InChIKey of 1-[cyclooctyl(methyl)amino]butan-2-ol?
The InChIKey is JAHNBFUOSWTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-13(15)11-14(2)12-9-7-5-4-6-8-10-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-[cyclooctyl(methyl)amino]butan-2-ol?
1-[cyclooctyl(methyl)amino]butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclooctyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 130316324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).