cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

C10H21NO — CID 59111659

IUPACcis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)C[C@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyNRJYDNYNVGMQJW-NXEZZACHSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol

cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (PubChem CID 59111659) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
PubChem CID59111659
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
SMILESCN(C)C[C@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyNRJYDNYNVGMQJW-NXEZZACHSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol (CID 59111659) is cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is CN(C)C[C@H]1CCCC[C@@]1(C)O.
What is the InChIKey of cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
The InChIKey is NRJYDNYNVGMQJW-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(12)7-5-4-6-9(10)8-11(2)3/h9,12H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol?
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 59111659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).