trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol

C11H21NO — CID 93346202

IUPACtrans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCC1CCC1
InChIInChI=1S/C11H21NO/c13-11-7-2-1-6-10(11)12-8-9-4-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyIWAJHUZGXATPBT-QWRGUYRKSA-N
MW183.29 g/mol
LogP1.68
Rot. Bonds3

About trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol (PubChem CID 93346202) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
PubChem CID93346202
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nametrans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCC1CCC1
InChIInChI=1S/C11H21NO/c13-11-7-2-1-6-10(11)12-8-9-4-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1
InChIKeyIWAJHUZGXATPBT-QWRGUYRKSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
cis-(1R,2S)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]cyclohexan-1-ol
CID 124673828
trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
CID 104923298
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
CID 154755007
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol (CID 93346202) is trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NCC1CCC1.
What is the InChIKey of trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol?
The InChIKey is IWAJHUZGXATPBT-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO/c13-11-7-2-1-6-10(11)12-8-9-4-3-5-9/h9-13H,1-8H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 93346202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).