trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol

C16H25NO — CID 13427956

IUPACtrans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
SMILESO[C@@H]1CCCCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C16H25NO/c18-16-11-7-2-1-6-10-15(16)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-18H,1-2,6-7,10-13H2/t15-,16-/m1/s1
InChIKeySZZGTRGCWTUUGR-HZPDHXFCSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds4

About trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol

trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol (PubChem CID 13427956) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
PubChem CID13427956
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nametrans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
SMILESO[C@@H]1CCCCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C16H25NO/c18-16-11-7-2-1-6-10-15(16)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-18H,1-2,6-7,10-13H2/t15-,16-/m1/s1
InChIKeySZZGTRGCWTUUGR-HZPDHXFCSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 66409208
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
2-[[(2,6-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926870
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
CID 66419653

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol (CID 13427956) is trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol is O[C@@H]1CCCCCC[C@@H]1CNCc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol?
The InChIKey is SZZGTRGCWTUUGR-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H25NO/c18-16-11-7-2-1-6-10-15(16)13-17-12-14-8-4-3-5-9-14/h3-5,8-9,15-18H,1-2,6-7,10-13H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol?
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol is sourced from PubChem (CID 13427956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).