(2R)-3-ethenylhexan-2-amine;methoxyethane

C11H25NO — CID 143473258

IUPAC(2R)-3-ethenylhexan-2-amine;methoxyethane
SMILESC=CC(CCC)[C@@H](C)N.CCOC
InChIInChI=1S/C8H17N.C3H8O/c1-4-6-8(5-2)7(3)9;1-3-4-2/h5,7-8H,2,4,6,9H2,1,3H3;3H2,1-2H3/t7-,8?;/m1./s1
InChIKeyPFMAUXFEPTWPLS-PGMKYVDRSA-N
MW187.33 g/mol
LogP2.59
Rot. Bonds5

About (2R)-3-ethenylhexan-2-amine;methoxyethane

(2R)-3-ethenylhexan-2-amine;methoxyethane (PubChem CID 143473258) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-3-ethenylhexan-2-amine;methoxyethane.

Molecular Properties

Compound Name(2R)-3-ethenylhexan-2-amine;methoxyethane
PubChem CID143473258
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-3-ethenylhexan-2-amine;methoxyethane
SMILESC=CC(CCC)[C@@H](C)N.CCOC
InChIInChI=1S/C8H17N.C3H8O/c1-4-6-8(5-2)7(3)9;1-3-4-2/h5,7-8H,2,4,6,9H2,1,3H3;3H2,1-2H3/t7-,8?;/m1./s1
InChIKeyPFMAUXFEPTWPLS-PGMKYVDRSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethenylhexan-2-amine;methoxyethane?
The IUPAC name of (2R)-3-ethenylhexan-2-amine;methoxyethane (CID 143473258) is (2R)-3-ethenylhexan-2-amine;methoxyethane.
What is the SMILES notation for (2R)-3-ethenylhexan-2-amine;methoxyethane?
The canonical SMILES for (2R)-3-ethenylhexan-2-amine;methoxyethane is C=CC(CCC)[C@@H](C)N.CCOC.
What is the InChIKey of (2R)-3-ethenylhexan-2-amine;methoxyethane?
The InChIKey is PFMAUXFEPTWPLS-PGMKYVDRSA-N. The full InChI is InChI=1S/C8H17N.C3H8O/c1-4-6-8(5-2)7(3)9;1-3-4-2/h5,7-8H,2,4,6,9H2,1,3H3;3H2,1-2H3/t7-,8?;/m1./s1.
What are the key properties of (2R)-3-ethenylhexan-2-amine;methoxyethane?
(2R)-3-ethenylhexan-2-amine;methoxyethane has a molecular weight of 187.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethenylhexan-2-amine;methoxyethane is sourced from PubChem (CID 143473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).