trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol

C10H21NO — CID 124679613

IUPACtrans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO/c1-3-8(2)11-9-6-4-5-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyOXRXQNDJSYCGOY-IVZWLZJFSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds3

About trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol (PubChem CID 124679613) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
PubChem CID124679613
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO/c1-3-8(2)11-9-6-4-5-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyOXRXQNDJSYCGOY-IVZWLZJFSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
CID 102731732
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
CID 102733975

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol (CID 124679613) is trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol is CC[C@H](C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol?
The InChIKey is OXRXQNDJSYCGOY-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8(2)11-9-6-4-5-7-10(9)12/h8-12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol has a molecular weight of 171.28 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-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 124679613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).