(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C12H25NO — CID 101131924

IUPAC(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN
InChIInChI=1S/C12H25NO/c1-9(2)11-5-4-10(3)8-12(11,14)6-7-13/h9-11,14H,4-8,13H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeySUHBIAYQFJJWQS-WOPDTQHZSA-N
MW199.34 g/mol
LogP2.16
Rot. Bonds3

About (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 101131924) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID101131924
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN
InChIInChI=1S/C12H25NO/c1-9(2)11-5-4-10(3)8-12(11,14)6-7-13/h9-11,14H,4-8,13H2,1-3H3/t10-,11+,12+/m1/s1
InChIKeySUHBIAYQFJJWQS-WOPDTQHZSA-N
XLogP2.16
TPSA46.25 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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 101131924) is (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN.
What is the InChIKey of (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is SUHBIAYQFJJWQS-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11-5-4-10(3)8-12(11,14)6-7-13/h9-11,14H,4-8,13H2,1-3H3/t10-,11+,12+/m1/s1.
What are the key properties of (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1-(2-aminoethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101131924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).