(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine

C11H23NO — CID 121451095

IUPAC(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
SMILESCOCCN[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h6,11-12H,5,7-9H2,1-4H3/t11-/m1/s1
InChIKeyIMBLPJPBNMKXFL-LLVKDONJSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine

(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine (PubChem CID 121451095) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
PubChem CID121451095
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
SMILESCOCCN[C@H](C)CCC=C(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h6,11-12H,5,7-9H2,1-4H3/t11-/m1/s1
InChIKeyIMBLPJPBNMKXFL-LLVKDONJSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine?
The IUPAC name of (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine (CID 121451095) is (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine.
What is the SMILES notation for (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine?
The canonical SMILES for (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine is COCCN[C@H](C)CCC=C(C)C.
What is the InChIKey of (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine?
The InChIKey is IMBLPJPBNMKXFL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-5-7-11(3)12-8-9-13-4/h6,11-12H,5,7-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine?
(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine is sourced from PubChem (CID 121451095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).