N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine

C12H28N2O3 — CID 162247771

IUPACN'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
SMILESCOC(CCCCCCNCCN)(OC)OC
InChIInChI=1S/C12H28N2O3/c1-15-12(16-2,17-3)8-6-4-5-7-10-14-11-9-13/h14H,4-11,13H2,1-3H3
InChIKeyZXOMFEZSTVIIGR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.08
Rot. Bonds12

About N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine

N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine (PubChem CID 162247771) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
PubChem CID162247771
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC NameN'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
SMILESCOC(CCCCCCNCCN)(OC)OC
InChIInChI=1S/C12H28N2O3/c1-15-12(16-2,17-3)8-6-4-5-7-10-14-11-9-13/h14H,4-11,13H2,1-3H3
InChIKeyZXOMFEZSTVIIGR-UHFFFAOYSA-N
XLogP1.08
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(13,13,13-trimethoxytridecyl)ethane-1,2-diamine
CID 152542530
1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-[3-(trimethoxymethylsilyl)propyl]ethane-1,2-diamine
CID 154228048
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
1,1,1-trimethoxytridecane
CID 102481821
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
CID 121403391

Frequently Asked Questions

What is the IUPAC name of N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine?
The IUPAC name of N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine (CID 162247771) is N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine?
The canonical SMILES for N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine is COC(CCCCCCNCCN)(OC)OC.
What is the InChIKey of N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine?
The InChIKey is ZXOMFEZSTVIIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-15-12(16-2,17-3)8-6-4-5-7-10-14-11-9-13/h14H,4-11,13H2,1-3H3.
What are the key properties of N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine?
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine is sourced from PubChem (CID 162247771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).