1,1-diethoxy-N,3-dimethylbutan-2-amine

C10H23NO2 — CID 12506255

IUPAC1,1-diethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(OCC)C(NC)C(C)C
InChIInChI=1S/C10H23NO2/c1-6-12-10(13-7-2)9(11-5)8(3)4/h8-11H,6-7H2,1-5H3
InChIKeyPQQYRAVGHKOBFI-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.63
Rot. Bonds7

About 1,1-diethoxy-N,3-dimethylbutan-2-amine

1,1-diethoxy-N,3-dimethylbutan-2-amine (PubChem CID 12506255) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,1-diethoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-N,3-dimethylbutan-2-amine
PubChem CID12506255
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,1-diethoxy-N,3-dimethylbutan-2-amine
SMILESCCOC(OCC)C(NC)C(C)C
InChIInChI=1S/C10H23NO2/c1-6-12-10(13-7-2)9(11-5)8(3)4/h8-11H,6-7H2,1-5H3
InChIKeyPQQYRAVGHKOBFI-UHFFFAOYSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.63
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,3-dimethylbutan-2-amine?
The IUPAC name of 1,1-diethoxy-N,3-dimethylbutan-2-amine (CID 12506255) is 1,1-diethoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1,1-diethoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1,1-diethoxy-N,3-dimethylbutan-2-amine is CCOC(OCC)C(NC)C(C)C.
What is the InChIKey of 1,1-diethoxy-N,3-dimethylbutan-2-amine?
The InChIKey is PQQYRAVGHKOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-12-10(13-7-2)9(11-5)8(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 1,1-diethoxy-N,3-dimethylbutan-2-amine?
1,1-diethoxy-N,3-dimethylbutan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 12506255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).