1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine

C12H25NO3 — CID 118014786

IUPAC1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine
SMILESCOCCC(=CC(N)CCOC)CCOC
InChIInChI=1S/C12H25NO3/c1-14-7-4-11(5-8-15-2)10-12(13)6-9-16-3/h10,12H,4-9,13H2,1-3H3
InChIKeyAUCJTIIXTAJSFY-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.35
Rot. Bonds10

About 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine

1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine (PubChem CID 118014786) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine.

Molecular Properties

Compound Name1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine
PubChem CID118014786
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine
SMILESCOCCC(=CC(N)CCOC)CCOC
InChIInChI=1S/C12H25NO3/c1-14-7-4-11(5-8-15-2)10-12(13)6-9-16-3/h10,12H,4-9,13H2,1-3H3
InChIKeyAUCJTIIXTAJSFY-UHFFFAOYSA-N
XLogP1.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5,6-trimethoxyhex-4-en-3-amine
CID 89256494
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
CID 88634605
5-methyl-1-propoxyhex-4-en-3-amine
CID 105163317
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
1-amino-4-methoxybutan-1-ol
CID 57141832
calcium bis(2-amino-4-methoxybutanoate)
CID 23618824
5-amino-7-methoxyhept-1-en-4-one
CID 116567168
2-(2-methoxyethyl)propanediamide
CID 143013500
2-amino-5-methoxy-3-sulfanylpentanal
CID 174251334
bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine?
The IUPAC name of 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine (CID 118014786) is 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine.
What is the SMILES notation for 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine?
The canonical SMILES for 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine is COCCC(=CC(N)CCOC)CCOC.
What is the InChIKey of 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine?
The InChIKey is AUCJTIIXTAJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-7-4-11(5-8-15-2)10-12(13)6-9-16-3/h10,12H,4-9,13H2,1-3H3.
What are the key properties of 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine?
1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine has a molecular weight of 231.34 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxy-5-(2-methoxyethyl)hept-4-en-3-amine is sourced from PubChem (CID 118014786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).