1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine

C15H33NO2 — CID 114209986

IUPAC1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine
SMILESCCNC(CCCC(C)(C)C)C(OCC)OCC
InChIInChI=1S/C15H33NO2/c1-7-16-13(11-10-12-15(4,5)6)14(17-8-2)18-9-3/h13-14,16H,7-12H2,1-6H3
InChIKeyUQVSYOGCEJBMFZ-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.58
Rot. Bonds10

About 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine

1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine (PubChem CID 114209986) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine
PubChem CID114209986
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine
SMILESCCNC(CCCC(C)(C)C)C(OCC)OCC
InChIInChI=1S/C15H33NO2/c1-7-16-13(11-10-12-15(4,5)6)14(17-8-2)18-9-3/h13-14,16H,7-12H2,1-6H3
InChIKeyUQVSYOGCEJBMFZ-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine?
The IUPAC name of 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine (CID 114209986) is 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine?
The canonical SMILES for 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine is CCNC(CCCC(C)(C)C)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine?
The InChIKey is UQVSYOGCEJBMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-7-16-13(11-10-12-15(4,5)6)14(17-8-2)18-9-3/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine?
1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine has a molecular weight of 259.43 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine is sourced from PubChem (CID 114209986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).