1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine

C15H29NO2 — CID 135270801

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)7-6-8-14(3)9-12-18-15(16-4)10-11-17-5/h7,9,15-16H,6,8,10-12H2,1-5H3/b14-9+
InChIKeyGETVYRXSVRNFMT-NTEUORMPSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds10

About 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine

1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine (PubChem CID 135270801) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine
PubChem CID135270801
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine
SMILESCNC(CCOC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)7-6-8-14(3)9-12-18-15(16-4)10-11-17-5/h7,9,15-16H,6,8,10-12H2,1-5H3/b14-9+
InChIKeyGETVYRXSVRNFMT-NTEUORMPSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine (CID 135270801) is 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine is CNC(CCOC)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is GETVYRXSVRNFMT-NTEUORMPSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)7-6-8-14(3)9-12-18-15(16-4)10-11-17-5/h7,9,15-16H,6,8,10-12H2,1-5H3/b14-9+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine?
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 135270801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).