(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol

C12H25NO2 — CID 11550281

IUPAC(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
SMILESCOCCC[C@]1(N)CCCC[C@H]1[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-10(14)11-6-3-4-7-12(11,13)8-5-9-15-2/h10-11,14H,3-9,13H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyCSACIQMSSUCQSS-SDDRHHMPSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds5

About (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol

(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol (PubChem CID 11550281) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
PubChem CID11550281
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
SMILESCOCCC[C@]1(N)CCCC[C@H]1[C@H](C)O
InChIInChI=1S/C12H25NO2/c1-10(14)11-6-3-4-7-12(11,13)8-5-9-15-2/h10-11,14H,3-9,13H2,1-2H3/t10-,11-,12+/m0/s1
InChIKeyCSACIQMSSUCQSS-SDDRHHMPSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol with MolForge

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Related Compounds

7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
CID 79331705
1-[1-(3-methoxypropyl)cyclopropyl]ethanamine
CID 106797370
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419438
1-(1-amino-2-methylcyclohexyl)-3-methylbutan-2-ol
CID 164652728
1-(3-methoxypropyl)cyclohexa-3,5-diene-1,2-diamine
CID 143109244
N-[[1-(4-methoxybutyl)cyclopentyl]methyl]propan-2-amine
CID 104649326
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol?
The IUPAC name of (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol (CID 11550281) is (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol?
The canonical SMILES for (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol is COCCC[C@]1(N)CCCC[C@H]1[C@H](C)O.
What is the InChIKey of (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol?
The InChIKey is CSACIQMSSUCQSS-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(14)11-6-3-4-7-12(11,13)8-5-9-15-2/h10-11,14H,3-9,13H2,1-2H3/t10-,11-,12+/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol?
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol is sourced from PubChem (CID 11550281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).