(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine

C11H23NO — CID 10910241

IUPAC(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h9-12H,4-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyWGQPJTCAIVXZBK-GXSJLCMTSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine

(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine (PubChem CID 10910241) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine
PubChem CID10910241
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h9-12H,4-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyWGQPJTCAIVXZBK-GXSJLCMTSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine (CID 10910241) is (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine is CN[C@@H](C)[C@@H](OC)C1CCCCC1.
What is the InChIKey of (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine?
The InChIKey is WGQPJTCAIVXZBK-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(12-2)11(13-3)10-7-5-4-6-8-10/h9-12H,4-8H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine?
(1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-cyclohexyl-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 10910241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).