(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C13H27NO — CID 101131923

IUPAC(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN(C)C
InChIInChI=1S/C13H27NO/c1-10(2)12-7-6-11(3)8-13(12,15)9-14(4)5/h10-12,15H,6-9H2,1-5H3/t11-,12+,13+/m1/s1
InChIKeySCEAEXOGXLHXAJ-AGIUHOORSA-N
MW213.36 g/mol
LogP2.37
Rot. Bonds3

About (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 101131923) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID101131923
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN(C)C
InChIInChI=1S/C13H27NO/c1-10(2)12-7-6-11(3)8-13(12,15)9-14(4)5/h10-12,15H,6-9H2,1-5H3/t11-,12+,13+/m1/s1
InChIKeySCEAEXOGXLHXAJ-AGIUHOORSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 101131923) is (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN(C)C.
What is the InChIKey of (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is SCEAEXOGXLHXAJ-AGIUHOORSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)12-7-6-11(3)8-13(12,15)9-14(4)5/h10-12,15H,6-9H2,1-5H3/t11-,12+,13+/m1/s1.
What are the key properties of (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1-[(dimethylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).