(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine

C10H22BNO — CID 134858032

IUPAC(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine
SMILESCOB(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C10H22BNO/c1-9(12-11(2)13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyOQFBUFPXUQSSIA-VIFPVBQESA-N
MW183.10 g/mol
LogP2.31
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine

(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine (PubChem CID 134858032) has the molecular formula C10H22BNO and a molecular weight of 183.10 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine
PubChem CID134858032
Molecular FormulaC10H22BNO
Molecular Weight183.10 g/mol
Exact Mass183.18
IUPAC Name(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine
SMILESCOB(C)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C10H22BNO/c1-9(12-11(2)13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyOQFBUFPXUQSSIA-VIFPVBQESA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine (CID 134858032) is (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine is COB(C)N[C@@H](C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine?
The InChIKey is OQFBUFPXUQSSIA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22BNO/c1-9(12-11(2)13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine?
(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine has a molecular weight of 183.10 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine is sourced from PubChem (CID 134858032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).