N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene

C13H24N2O — CID 142202961

IUPACN'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene
SMILESCCNCCNC.COC1=CC=CC=CC1
InChIInChI=1S/C8H10O.C5H14N2/c1-9-8-6-4-2-3-5-7-8;1-3-7-5-4-6-2/h2-6H,7H2,1H3;6-7H,3-5H2,1-2H3
InChIKeyLINOYZZUSGEHIW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds5

About N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene

N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene (PubChem CID 142202961) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound NameN'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene
PubChem CID142202961
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene
SMILESCCNCCNC.COC1=CC=CC=CC1
InChIInChI=1S/C8H10O.C5H14N2/c1-9-8-6-4-2-3-5-7-8;1-3-7-5-4-6-2/h2-6H,7H2,1H3;6-7H,3-5H2,1-2H3
InChIKeyLINOYZZUSGEHIW-UHFFFAOYSA-N
XLogP1.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3Z,6E)-6-methoxyocta-3,6-dienyl]piperazine
CID 142202949

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene?
The IUPAC name of N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene (CID 142202961) is N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene.
What is the SMILES notation for N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene?
The canonical SMILES for N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene is CCNCCNC.COC1=CC=CC=CC1.
What is the InChIKey of N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene?
The InChIKey is LINOYZZUSGEHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H14N2/c1-9-8-6-4-2-3-5-7-8;1-3-7-5-4-6-2/h2-6H,7H2,1H3;6-7H,3-5H2,1-2H3.
What are the key properties of N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene?
N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene has a molecular weight of 224.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methylethane-1,2-diamine;1-methoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 142202961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).