N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine

C13H27NO — CID 79607917

IUPACN-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
SMILESCCC(C)CC(C)=CCCNCCOC
InChIInChI=1S/C13H27NO/c1-5-12(2)11-13(3)7-6-8-14-9-10-15-4/h7,12,14H,5-6,8-11H2,1-4H3
InChIKeyFHVBQIMWIQVAJY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds9

About N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine

N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine (PubChem CID 79607917) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
PubChem CID79607917
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
SMILESCCC(C)CC(C)=CCCNCCOC
InChIInChI=1S/C13H27NO/c1-5-12(2)11-13(3)7-6-8-14-9-10-15-4/h7,12,14H,5-6,8-11H2,1-4H3
InChIKeyFHVBQIMWIQVAJY-UHFFFAOYSA-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': '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-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine (CID 79607917) is N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine is CCC(C)CC(C)=CCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine?
The InChIKey is FHVBQIMWIQVAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12(2)11-13(3)7-6-8-14-9-10-15-4/h7,12,14H,5-6,8-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine?
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-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 N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine is sourced from PubChem (CID 79607917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).