(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine

C13H27NO — CID 89276213

IUPAC(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine
SMILESC/C=C\C([C@@H](CCCC)OC)N(C)CC
InChIInChI=1S/C13H27NO/c1-6-9-11-13(15-5)12(10-7-2)14(4)8-3/h7,10,12-13H,6,8-9,11H2,1-5H3/b10-7-/t12?,13-/m1/s1
InChIKeyRYJHHCPLRPWDLP-VSWOMJIVSA-N
MW213.37 g/mol
LogP3.09
Rot. Bonds8

About (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine

(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine (PubChem CID 89276213) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine.

Molecular Properties

Compound Name(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine
PubChem CID89276213
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine
SMILESC/C=C\C([C@@H](CCCC)OC)N(C)CC
InChIInChI=1S/C13H27NO/c1-6-9-11-13(15-5)12(10-7-2)14(4)8-3/h7,10,12-13H,6,8-9,11H2,1-5H3/b10-7-/t12?,13-/m1/s1
InChIKeyRYJHHCPLRPWDLP-VSWOMJIVSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine?
The IUPAC name of (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine (CID 89276213) is (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine.
What is the SMILES notation for (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine?
The canonical SMILES for (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine is C/C=C\C([C@@H](CCCC)OC)N(C)CC.
What is the InChIKey of (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine?
The InChIKey is RYJHHCPLRPWDLP-VSWOMJIVSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-11-13(15-5)12(10-7-2)14(4)8-3/h7,10,12-13H,6,8-9,11H2,1-5H3/b10-7-/t12?,13-/m1/s1.
What are the key properties of (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine?
(Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine has a molecular weight of 213.37 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-N-ethyl-5-methoxy-N-methylnon-2-en-4-amine is sourced from PubChem (CID 89276213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).