[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol

C11H23NO — CID 130016956

IUPAC[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)CO
InChIInChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,12)7-13/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyTXIGBGZEXAYIQC-OUAUKWLOSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds2

About [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol

[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol (PubChem CID 130016956) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol
PubChem CID130016956
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)CO
InChIInChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,12)7-13/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyTXIGBGZEXAYIQC-OUAUKWLOSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol (CID 130016956) is [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(N)CO.
What is the InChIKey of [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is TXIGBGZEXAYIQC-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,12)7-13/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol?
[(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 130016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).