trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol

C10H21NO2 — CID 102731035

IUPACtrans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol
SMILESCCOCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-2-13-8-7-11-9-5-3-4-6-10(9)12/h9-12H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeySANHXMRSWJTXNS-NXEZZACHSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds5

About trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol (PubChem CID 102731035) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol
PubChem CID102731035
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametrans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol
SMILESCCOCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO2/c1-2-13-8-7-11-9-5-3-4-6-10(9)12/h9-12H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeySANHXMRSWJTXNS-NXEZZACHSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

rac-(1R,2R)-2-(methylamino)cyclohexan-1-ol
CID 12847193
(1-Ethyl-propyl)-(2-methoxy-cyclohexyl)-amine
CID 3126341
2-Methylamino-cyclohexanol
CID 316731
rac-(1R,2R)-2-((propan-2-yl)amino)cyclohexan-1-ol
CID 11030075
rac-(1R,2R)-2-(cyclopropylamino)cyclohexan-1-ol
CID 57264436
N-cyclohexyl-2-methoxycyclohexanamine oxalate
CID 2849967
N-cyclopentyl-2-methoxycyclohexan-1-amine
CID 2853178
2-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 5213647
trans-2-(Tert-butylamino)cyclohexan-1-ol
CID 11126723
(1S,2R)-2-(Methylamino)cyclohexanol
CID 11499219
2-(2-Hydroxyethylamino)cyclohexan-1-ol
CID 12846902
2,2'-Dihydroxydicyclohexylamine
CID 13223996

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol (CID 102731035) is trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol is CCOCCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol?
The InChIKey is SANHXMRSWJTXNS-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-13-8-7-11-9-5-3-4-6-10(9)12/h9-12H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-ethoxyethylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).