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

C8H17NO — CID 28660461

IUPACtrans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
SMILESCCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyNIMUFNCQZMSSAG-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds2

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

trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol (PubChem CID 28660461) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
PubChem CID28660461
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
SMILESCCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyNIMUFNCQZMSSAG-YUMQZZPRSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
(1R,4S,5R,8R)-5-(ethylamino)bicyclo[6.1.0]nonan-4-ol
CID 125451695
2-(nonylamino)cyclohexan-1-ol
CID 62360571
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
4-(ethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-3-carboxamide
CID 107221645
2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]cyclohexan-1-ol
CID 102636948
2-[2-[ethyl(methyl)amino]ethylamino]cyclohexan-1-ol
CID 62636782
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol (CID 28660461) is trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol is CCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol?
The InChIKey is NIMUFNCQZMSSAG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol is sourced from PubChem (CID 28660461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).