N-ethoxypropan-2-amine

C5H13NO — CID 14849020

IUPACN-ethoxypropan-2-amine
SMILESCCONC(C)C
InChIInChI=1S/C5H13NO/c1-4-7-6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyLOPMOJDYWCHTJL-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.94
Rot. Bonds3

About N-ethoxypropan-2-amine

N-ethoxypropan-2-amine (PubChem CID 14849020) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is N-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-ethoxypropan-2-amine
PubChem CID14849020
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC NameN-ethoxypropan-2-amine
SMILESCCONC(C)C
InChIInChI=1S/C5H13NO/c1-4-7-6-5(2)3/h5-6H,4H2,1-3H3
InChIKeyLOPMOJDYWCHTJL-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
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-ethoxypropan-2-amine?
The IUPAC name of N-ethoxypropan-2-amine (CID 14849020) is N-ethoxypropan-2-amine.
What is the SMILES notation for N-ethoxypropan-2-amine?
The canonical SMILES for N-ethoxypropan-2-amine is CCONC(C)C.
What is the InChIKey of N-ethoxypropan-2-amine?
The InChIKey is LOPMOJDYWCHTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4-7-6-5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of N-ethoxypropan-2-amine?
N-ethoxypropan-2-amine has a molecular weight of 103.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypropan-2-amine is sourced from PubChem (CID 14849020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).