N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine

C10H20N2O2 — CID 57046453

IUPACN'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine
SMILESCCONC=CCCCC=CNOC
InChIInChI=1S/C10H20N2O2/c1-3-14-12-10-8-6-4-5-7-9-11-13-2/h7-12H,3-6H2,1-2H3
InChIKeyABBGAMYEVAOFJZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds9

About N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine

N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine (PubChem CID 57046453) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine.

Molecular Properties

Compound NameN'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine
PubChem CID57046453
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine
SMILESCCONC=CCCCC=CNOC
InChIInChI=1S/C10H20N2O2/c1-3-14-12-10-8-6-4-5-7-9-11-13-2/h7-12H,3-6H2,1-2H3
InChIKeyABBGAMYEVAOFJZ-UHFFFAOYSA-N
XLogP1.88
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine?
The IUPAC name of N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine (CID 57046453) is N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine.
What is the SMILES notation for N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine?
The canonical SMILES for N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine is CCONC=CCCCC=CNOC.
What is the InChIKey of N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine?
The InChIKey is ABBGAMYEVAOFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-14-12-10-8-6-4-5-7-9-11-13-2/h7-12H,3-6H2,1-2H3.
What are the key properties of N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine?
N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine has a molecular weight of 200.28 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethoxy-N-methoxyhepta-1,6-diene-1,7-diamine is sourced from PubChem (CID 57046453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).