N-ethoxy-N-propan-2-ylpropan-2-amine

C8H19NO — CID 19988574

IUPACN-ethoxy-N-propan-2-ylpropan-2-amine
SMILESCCON(C(C)C)C(C)C
InChIInChI=1S/C8H19NO/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyJQWYTNZVDDNWCK-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.06
Rot. Bonds4

About N-ethoxy-N-propan-2-ylpropan-2-amine

N-ethoxy-N-propan-2-ylpropan-2-amine (PubChem CID 19988574) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-ethoxy-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethoxy-N-propan-2-ylpropan-2-amine
PubChem CID19988574
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-ethoxy-N-propan-2-ylpropan-2-amine
SMILESCCON(C(C)C)C(C)C
InChIInChI=1S/C8H19NO/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKeyJQWYTNZVDDNWCK-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-ethoxy-N-propan-2-ylpropan-2-amine (CID 19988574) is N-ethoxy-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-ethoxy-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-ethoxy-N-propan-2-ylpropan-2-amine is CCON(C(C)C)C(C)C.
What is the InChIKey of N-ethoxy-N-propan-2-ylpropan-2-amine?
The InChIKey is JQWYTNZVDDNWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6-10-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3.
What are the key properties of N-ethoxy-N-propan-2-ylpropan-2-amine?
N-ethoxy-N-propan-2-ylpropan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 19988574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).