1,5-dimethoxy-N,5-dimethylheptan-4-amine

C11H25NO2 — CID 114857129

IUPAC1,5-dimethoxy-N,5-dimethylheptan-4-amine
SMILESCCC(C)(OC)C(CCCOC)NC
InChIInChI=1S/C11H25NO2/c1-6-11(2,14-5)10(12-3)8-7-9-13-4/h10,12H,6-9H2,1-5H3
InChIKeyTWJZVFWJPUDGNH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds8

About 1,5-dimethoxy-N,5-dimethylheptan-4-amine

1,5-dimethoxy-N,5-dimethylheptan-4-amine (PubChem CID 114857129) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1,5-dimethoxy-N,5-dimethylheptan-4-amine.

Molecular Properties

Compound Name1,5-dimethoxy-N,5-dimethylheptan-4-amine
PubChem CID114857129
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1,5-dimethoxy-N,5-dimethylheptan-4-amine
SMILESCCC(C)(OC)C(CCCOC)NC
InChIInChI=1S/C11H25NO2/c1-6-11(2,14-5)10(12-3)8-7-9-13-4/h10,12H,6-9H2,1-5H3
InChIKeyTWJZVFWJPUDGNH-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-N,5-dimethylheptan-4-amine?
The IUPAC name of 1,5-dimethoxy-N,5-dimethylheptan-4-amine (CID 114857129) is 1,5-dimethoxy-N,5-dimethylheptan-4-amine.
What is the SMILES notation for 1,5-dimethoxy-N,5-dimethylheptan-4-amine?
The canonical SMILES for 1,5-dimethoxy-N,5-dimethylheptan-4-amine is CCC(C)(OC)C(CCCOC)NC.
What is the InChIKey of 1,5-dimethoxy-N,5-dimethylheptan-4-amine?
The InChIKey is TWJZVFWJPUDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-11(2,14-5)10(12-3)8-7-9-13-4/h10,12H,6-9H2,1-5H3.
What are the key properties of 1,5-dimethoxy-N,5-dimethylheptan-4-amine?
1,5-dimethoxy-N,5-dimethylheptan-4-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-N,5-dimethylheptan-4-amine is sourced from PubChem (CID 114857129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).