N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

C11H26N2O — CID 103032967

IUPACN'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C11H26N2O/c1-5-13(9-6-8-12)10-7-11(2,3)14-4/h5-10,12H2,1-4H3
InChIKeyCQWNVWLOBQYAQI-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds8

About N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine

N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (PubChem CID 103032967) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
PubChem CID103032967
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
SMILESCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C11H26N2O/c1-5-13(9-6-8-12)10-7-11(2,3)14-4/h5-10,12H2,1-4H3
InChIKeyCQWNVWLOBQYAQI-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine (CID 103032967) is N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is CCN(CCCN)CCC(C)(C)OC.
What is the InChIKey of N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
The InChIKey is CQWNVWLOBQYAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(9-6-8-12)10-7-11(2,3)14-4/h5-10,12H2,1-4H3.
What are the key properties of N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine?
N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 103032967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).