trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol

C11H23NO — CID 104926547

IUPACtrans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
SMILESCCCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO/c1-3-6-9(2)12-10-7-4-5-8-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyCXBGJKXCXOOKHA-FHZGLPGMSA-N
MW185.31 g/mol
LogP2.07
Rot. Bonds4

About trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol (PubChem CID 104926547) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
PubChem CID104926547
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nametrans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
SMILESCCCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NO/c1-3-6-9(2)12-10-7-4-5-8-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyCXBGJKXCXOOKHA-FHZGLPGMSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
CID 102731732
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
CID 102733975
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol (CID 104926547) is trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol is CCCC(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol?
The InChIKey is CXBGJKXCXOOKHA-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-6-9(2)12-10-7-4-5-8-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.07, 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-(pentan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 104926547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).