(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol

C12H25NO — CID 11481055

IUPAC(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C12H25NO/c1-5-13-12(3,4)10-7-6-9(2)8-11(10)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeySAOLDEPUEKEFFR-GMTAPVOTSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11481055) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11481055
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C12H25NO/c1-5-13-12(3,4)10-7-6-9(2)8-11(10)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeySAOLDEPUEKEFFR-GMTAPVOTSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol (CID 11481055) is (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol is CCNC(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is SAOLDEPUEKEFFR-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-12(3,4)10-7-6-9(2)8-11(10)14/h9-11,13-14H,5-8H2,1-4H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-(ethylamino)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11481055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).