5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine

C12H28N2O — CID 81101412

IUPAC5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(N)CCCOC
InChIInChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-11(13)8-7-9-15-5/h11H,6-10,13H2,1-5H3
InChIKeyUBBPKCQXWSFNGO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds8

About 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine

5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine (PubChem CID 81101412) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
PubChem CID81101412
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(N)CCCOC
InChIInChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-11(13)8-7-9-15-5/h11H,6-10,13H2,1-5H3
InChIKeyUBBPKCQXWSFNGO-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine
CID 114856218
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
1-methoxyheptan-4-amine
CID 43370439
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
1-methoxy-7-methyloctan-4-amine
CID 62603924
5-methoxy-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81102660
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
(5-amino-8-methoxyoctyl)boronic acid
CID 88577036
5-methoxy-1-N-(2-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101758
methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate
CID 63965365

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine (CID 81101412) is 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine is CCC(C)(C)N(C)CC(N)CCCOC.
What is the InChIKey of 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The InChIKey is UBBPKCQXWSFNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(2,3)14(4)10-11(13)8-7-9-15-5/h11H,6-10,13H2,1-5H3.
What are the key properties of 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 81101412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).