cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol

C8H17NO — CID 138485251

IUPACcis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
SMILESCN[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C8H17NO/c1-8(10)6-4-3-5-7(8)9-2/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKMMPFGUVUKURFE-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds1

About cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol

cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol (PubChem CID 138485251) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
PubChem CID138485251
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
SMILESCN[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C8H17NO/c1-8(10)6-4-3-5-7(8)9-2/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKMMPFGUVUKURFE-YUMQZZPRSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol (CID 138485251) is cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol is CN[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol?
The InChIKey is KMMPFGUVUKURFE-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(10)6-4-3-5-7(8)9-2/h7,9-10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol?
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 138485251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).