N-ethyl-N-propoxypropan-2-amine

C8H19NO — CID 169266319

IUPACN-ethyl-N-propoxypropan-2-amine
SMILESCCCON(CC)C(C)C
InChIInChI=1S/C8H19NO/c1-5-7-10-9(6-2)8(3)4/h8H,5-7H2,1-4H3
InChIKeyPQPJUFOLASPVMO-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.06
Rot. Bonds5

About N-ethyl-N-propoxypropan-2-amine

N-ethyl-N-propoxypropan-2-amine (PubChem CID 169266319) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-ethyl-N-propoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-propoxypropan-2-amine
PubChem CID169266319
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-ethyl-N-propoxypropan-2-amine
SMILESCCCON(CC)C(C)C
InChIInChI=1S/C8H19NO/c1-5-7-10-9(6-2)8(3)4/h8H,5-7H2,1-4H3
InChIKeyPQPJUFOLASPVMO-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-ethyl-N-propoxypropan-2-amine?
The IUPAC name of N-ethyl-N-propoxypropan-2-amine (CID 169266319) is N-ethyl-N-propoxypropan-2-amine.
What is the SMILES notation for N-ethyl-N-propoxypropan-2-amine?
The canonical SMILES for N-ethyl-N-propoxypropan-2-amine is CCCON(CC)C(C)C.
What is the InChIKey of N-ethyl-N-propoxypropan-2-amine?
The InChIKey is PQPJUFOLASPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-7-10-9(6-2)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-propoxypropan-2-amine?
N-ethyl-N-propoxypropan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propoxypropan-2-amine is sourced from PubChem (CID 169266319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).