N-ethyl-7-methoxy-2-methylhept-2-en-4-amine

C11H23NO — CID 79177731

IUPACN-ethyl-7-methoxy-2-methylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CCCOC
InChIInChI=1S/C11H23NO/c1-5-12-11(9-10(2)3)7-6-8-13-4/h9,11-12H,5-8H2,1-4H3
InChIKeyCGFJELFOJOXGLB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds7

About N-ethyl-7-methoxy-2-methylhept-2-en-4-amine

N-ethyl-7-methoxy-2-methylhept-2-en-4-amine (PubChem CID 79177731) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-methylhept-2-en-4-amine.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-methylhept-2-en-4-amine
PubChem CID79177731
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-7-methoxy-2-methylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)CCCOC
InChIInChI=1S/C11H23NO/c1-5-12-11(9-10(2)3)7-6-8-13-4/h9,11-12H,5-8H2,1-4H3
InChIKeyCGFJELFOJOXGLB-UHFFFAOYSA-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 N-ethyl-7-methoxy-2-methylhept-2-en-4-amine?
The IUPAC name of N-ethyl-7-methoxy-2-methylhept-2-en-4-amine (CID 79177731) is N-ethyl-7-methoxy-2-methylhept-2-en-4-amine.
What is the SMILES notation for N-ethyl-7-methoxy-2-methylhept-2-en-4-amine?
The canonical SMILES for N-ethyl-7-methoxy-2-methylhept-2-en-4-amine is CCNC(C=C(C)C)CCCOC.
What is the InChIKey of N-ethyl-7-methoxy-2-methylhept-2-en-4-amine?
The InChIKey is CGFJELFOJOXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-11(9-10(2)3)7-6-8-13-4/h9,11-12H,5-8H2,1-4H3.
What are the key properties of N-ethyl-7-methoxy-2-methylhept-2-en-4-amine?
N-ethyl-7-methoxy-2-methylhept-2-en-4-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 N-ethyl-7-methoxy-2-methylhept-2-en-4-amine is sourced from PubChem (CID 79177731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).