(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine

C13H27NO — CID 126687218

IUPAC(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
SMILESC=CC(CC)C[C@@H](OC)[C@@H](CCC)NC
InChIInChI=1S/C13H27NO/c1-6-9-12(14-4)13(15-5)10-11(7-2)8-3/h7,11-14H,2,6,8-10H2,1,3-5H3/t11?,12-,13-/m1/s1
InChIKeyFFILUTOQZCOIQG-VFRRUGBOSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds9

About (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine

(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine (PubChem CID 126687218) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine.

Molecular Properties

Compound Name(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
PubChem CID126687218
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine
SMILESC=CC(CC)C[C@@H](OC)[C@@H](CCC)NC
InChIInChI=1S/C13H27NO/c1-6-9-12(14-4)13(15-5)10-11(7-2)8-3/h7,11-14H,2,6,8-10H2,1,3-5H3/t11?,12-,13-/m1/s1
InChIKeyFFILUTOQZCOIQG-VFRRUGBOSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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 (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine?
The IUPAC name of (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine (CID 126687218) is (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine.
What is the SMILES notation for (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine?
The canonical SMILES for (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine is C=CC(CC)C[C@@H](OC)[C@@H](CCC)NC.
What is the InChIKey of (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine?
The InChIKey is FFILUTOQZCOIQG-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-12(14-4)13(15-5)10-11(7-2)8-3/h7,11-14H,2,6,8-10H2,1,3-5H3/t11?,12-,13-/m1/s1.
What are the key properties of (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine?
(4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-ethyl-5-methoxy-N-methylnon-8-en-4-amine is sourced from PubChem (CID 126687218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).