2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine

C11H26N2O — CID 106115133

IUPAC2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
SMILESCOC(CN)CNCC(C)(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)11(3,4)8-13-7-10(6-12)14-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyUMDPHCGGHNUTEV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.23
Rot. Bonds7

About 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine

2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine (PubChem CID 106115133) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
PubChem CID106115133
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
SMILESCOC(CN)CNCC(C)(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)11(3,4)8-13-7-10(6-12)14-5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyUMDPHCGGHNUTEV-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
CID 106114726
2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
CID 106115135
N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
CID 106114896
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-ol
CID 102670964
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
tert-butyl 4-amino-3-methoxybutanoate
CID 102921115
(2S)-2-methoxybutan-1-amine
CID 42427147
3-methyl-3-N-(2,2,3-trimethylbutyl)butane-1,3-diamine
CID 115135061

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine (CID 106115133) is 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine is COC(CN)CNCC(C)(C)C(C)C.
What is the InChIKey of 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine?
The InChIKey is UMDPHCGGHNUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(2)11(3,4)8-13-7-10(6-12)14-5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine?
2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine is sourced from PubChem (CID 106115133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).