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

C12H25NO — CID 102731869

IUPACtrans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
SMILESCCC(C)N(CC)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-10(3)13(5-2)11-8-6-7-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGMGAQIJYQDTXEK-PQDIPPBSSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

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

trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol (PubChem CID 102731869) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
PubChem CID102731869
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol
SMILESCCC(C)N(CC)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-10(3)13(5-2)11-8-6-7-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGMGAQIJYQDTXEK-PQDIPPBSSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
CID 60884187
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
trans-(1S,2S)-2-[methyl(pentan-2-yl)amino]cyclohexan-1-ol
CID 102731911

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol (CID 102731869) is trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol is CCC(C)N(CC)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol?
The InChIKey is GMGAQIJYQDTXEK-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(3)13(5-2)11-8-6-7-9-12(11)14/h10-12,14H,4-9H2,1-3H3/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[butan-2-yl(ethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).