(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine

C10H19NO — CID 141086747

IUPAC(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
SMILESN[C@@H](CC1CCCCC1)[C@H]1CO1
InChIInChI=1S/C10H19NO/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h8-10H,1-7,11H2/t9-,10+/m0/s1
InChIKeyGEWXKWHUHOUZHX-VHSXEESVSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds3

About (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine

(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine (PubChem CID 141086747) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
PubChem CID141086747
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
SMILESN[C@@H](CC1CCCCC1)[C@H]1CO1
InChIInChI=1S/C10H19NO/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h8-10H,1-7,11H2/t9-,10+/m0/s1
InChIKeyGEWXKWHUHOUZHX-VHSXEESVSA-N
XLogP1.68
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine?
The IUPAC name of (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine (CID 141086747) is (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine.
What is the SMILES notation for (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine?
The canonical SMILES for (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine is N[C@@H](CC1CCCCC1)[C@H]1CO1.
What is the InChIKey of (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine?
The InChIKey is GEWXKWHUHOUZHX-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c11-9(10-7-12-10)6-8-4-2-1-3-5-8/h8-10H,1-7,11H2/t9-,10+/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine?
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine is sourced from PubChem (CID 141086747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).