1,4-dimethoxyoct-7-en-2-amine

C10H21NO2 — CID 170982886

IUPAC1,4-dimethoxyoct-7-en-2-amine
SMILESC=CCCC(CC(N)COC)OC
InChIInChI=1S/C10H21NO2/c1-4-5-6-10(13-3)7-9(11)8-12-2/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyOTZGQDFJLLYWDR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds8

About 1,4-dimethoxyoct-7-en-2-amine

1,4-dimethoxyoct-7-en-2-amine (PubChem CID 170982886) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1,4-dimethoxyoct-7-en-2-amine.

Molecular Properties

Compound Name1,4-dimethoxyoct-7-en-2-amine
PubChem CID170982886
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1,4-dimethoxyoct-7-en-2-amine
SMILESC=CCCC(CC(N)COC)OC
InChIInChI=1S/C10H21NO2/c1-4-5-6-10(13-3)7-9(11)8-12-2/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyOTZGQDFJLLYWDR-UHFFFAOYSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride
CID 55255824
3-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 55255825
1-Methoxyoct-7-en-3-amine
CID 64297001
1-Methoxyhept-6-en-2-amine
CID 64298282
1-Propoxyhept-6-en-2-amine
CID 64298952
2-Ethoxyhept-6-en-3-amine
CID 64540277
2-Ethoxyoct-7-en-3-amine
CID 64542187
1-(1,4-Dioxan-2-yl)hex-5-en-1-amine
CID 65352464
1-Ethoxyhept-6-en-2-amine
CID 65668941
2-Methoxyhept-6-en-3-amine
CID 79616791
2-Methoxy-5-methylideneheptan-3-amine
CID 79616919
2-Methoxyoct-7-en-3-amine
CID 79617515

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxyoct-7-en-2-amine?
The IUPAC name of 1,4-dimethoxyoct-7-en-2-amine (CID 170982886) is 1,4-dimethoxyoct-7-en-2-amine.
What is the SMILES notation for 1,4-dimethoxyoct-7-en-2-amine?
The canonical SMILES for 1,4-dimethoxyoct-7-en-2-amine is C=CCCC(CC(N)COC)OC.
What is the InChIKey of 1,4-dimethoxyoct-7-en-2-amine?
The InChIKey is OTZGQDFJLLYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-10(13-3)7-9(11)8-12-2/h4,9-10H,1,5-8,11H2,2-3H3.
What are the key properties of 1,4-dimethoxyoct-7-en-2-amine?
1,4-dimethoxyoct-7-en-2-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxyoct-7-en-2-amine is sourced from PubChem (CID 170982886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).