cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol

C15H23NO — CID 129411683

IUPACcis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
SMILESO[C@H]1CCCCCC[C@H]1NCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-11-7-2-1-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-5,8-9,14-17H,1-2,6-7,10-12H2/t14-,15+/m1/s1
InChIKeySDGVEBTXIKFKSA-CABCVRRESA-N
MW233.36 g/mol
LogP2.86
Rot. Bonds3

About cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol

cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol (PubChem CID 129411683) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
PubChem CID129411683
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Namecis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
SMILESO[C@H]1CCCCCC[C@H]1NCc1ccccc1
InChIInChI=1S/C15H23NO/c17-15-11-7-2-1-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-5,8-9,14-17H,1-2,6-7,10-12H2/t14-,15+/m1/s1
InChIKeySDGVEBTXIKFKSA-CABCVRRESA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
(2R)-2-hydroxy-2-phenylacetic acid;trans-(1S,2S)-2-(benzylamino)cyclohexan-1-ol
CID 11610127
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268
2-[4-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]phenyl]benzoic acid
CID 110097453

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol (CID 129411683) is cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol is O[C@H]1CCCCCC[C@H]1NCc1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol?
The InChIKey is SDGVEBTXIKFKSA-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO/c17-15-11-7-2-1-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-5,8-9,14-17H,1-2,6-7,10-12H2/t14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol?
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol is sourced from PubChem (CID 129411683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).