N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine

C10H22N2O — CID 142615894

IUPACN-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine
SMILESC=C(COCCNCCC)NCC
InChIInChI=1S/C10H22N2O/c1-4-6-11-7-8-13-9-10(3)12-5-2/h11-12H,3-9H2,1-2H3
InChIKeyHWUPLLRBMJVYCM-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.13
Rot. Bonds9

About N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine

N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine (PubChem CID 142615894) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine
PubChem CID142615894
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine
SMILESC=C(COCCNCCC)NCC
InChIInChI=1S/C10H22N2O/c1-4-6-11-7-8-13-9-10(3)12-5-2/h11-12H,3-9H2,1-2H3
InChIKeyHWUPLLRBMJVYCM-UHFFFAOYSA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine?
The IUPAC name of N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine (CID 142615894) is N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine.
What is the SMILES notation for N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine?
The canonical SMILES for N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine is C=C(COCCNCCC)NCC.
What is the InChIKey of N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine?
The InChIKey is HWUPLLRBMJVYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-11-7-8-13-9-10(3)12-5-2/h11-12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine?
N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine has a molecular weight of 186.30 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(propylamino)ethoxy]prop-1-en-2-amine is sourced from PubChem (CID 142615894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).