trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol

C13H27NO — CID 102731345

IUPACtrans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
SMILESCCC(C)CC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-4-10(2)9-11(3)14-12-7-5-6-8-13(12)15/h10-15H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1
InChIKeySOUYDGPFOVLHMV-FIYWTHMPSA-N
MW213.36 g/mol
LogP2.70
Rot. Bonds5

About trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol (PubChem CID 102731345) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
PubChem CID102731345
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nametrans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
SMILESCCC(C)CC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-4-10(2)9-11(3)14-12-7-5-6-8-13(12)15/h10-15H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1
InChIKeySOUYDGPFOVLHMV-FIYWTHMPSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
CID 102733975
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,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
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol (CID 102731345) is trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol is CCC(C)CC(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol?
The InChIKey is SOUYDGPFOVLHMV-FIYWTHMPSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-10(2)9-11(3)14-12-7-5-6-8-13(12)15/h10-15H,4-9H2,1-3H3/t10?,11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).