N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride

C9H19ClN2O — CID 3018509

IUPACN-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCN(CC)CC.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-4-9(12)10-7-8-11(5-2)6-3;/h4H,1,5-8H2,2-3H3,(H,10,12);1H
InChIKeyIEWKGYJNURLXHT-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.05
Rot. Bonds6

About N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride

N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride (PubChem CID 3018509) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride
PubChem CID3018509
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC NameN-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)NCCN(CC)CC.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-4-9(12)10-7-8-11(5-2)6-3;/h4H,1,5-8H2,2-3H3,(H,10,12);1H
InChIKeyIEWKGYJNURLXHT-UHFFFAOYSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride (CID 3018509) is N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride is C=CC(=O)NCCN(CC)CC.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride?
The InChIKey is IEWKGYJNURLXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-4-9(12)10-7-8-11(5-2)6-3;/h4H,1,5-8H2,2-3H3,(H,10,12);1H.
What are the key properties of N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride?
N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 3018509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).