N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine

C12H28N2O — CID 103032968

IUPACN'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-5-9-14(10-6-8-13)11-7-12(2,3)15-4/h5-11,13H2,1-4H3
InChIKeyHVFXXGDMDGFJJT-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

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

N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine (PubChem CID 103032968) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine
PubChem CID103032968
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-5-9-14(10-6-8-13)11-7-12(2,3)15-4/h5-11,13H2,1-4H3
InChIKeyHVFXXGDMDGFJJT-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine (CID 103032968) is N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)CCC(C)(C)OC.
What is the InChIKey of N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine?
The InChIKey is HVFXXGDMDGFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-9-14(10-6-8-13)11-7-12(2,3)15-4/h5-11,13H2,1-4H3.
What are the key properties of N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine?
N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 103032968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).