N,N-bis(ethylaminomethyl)prop-2-enamide

C9H19N3O — CID 23174711

IUPACN,N-bis(ethylaminomethyl)prop-2-enamide
SMILESC=CC(=O)N(CNCC)CNCC
InChIInChI=1S/C9H19N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h4,10-11H,1,5-8H2,2-3H3
InChIKeyLZSOYZHJAUFJOR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.14
Rot. Bonds7

About N,N-bis(ethylaminomethyl)prop-2-enamide

N,N-bis(ethylaminomethyl)prop-2-enamide (PubChem CID 23174711) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-bis(ethylaminomethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(ethylaminomethyl)prop-2-enamide
PubChem CID23174711
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN,N-bis(ethylaminomethyl)prop-2-enamide
SMILESC=CC(=O)N(CNCC)CNCC
InChIInChI=1S/C9H19N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h4,10-11H,1,5-8H2,2-3H3
InChIKeyLZSOYZHJAUFJOR-UHFFFAOYSA-N
XLogP0.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N'-ethyl-N-propylprop-2-enehydrazide
CID 87504958
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethylaminomethyl)prop-2-enamide?
The IUPAC name of N,N-bis(ethylaminomethyl)prop-2-enamide (CID 23174711) is N,N-bis(ethylaminomethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(ethylaminomethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(ethylaminomethyl)prop-2-enamide is C=CC(=O)N(CNCC)CNCC.
What is the InChIKey of N,N-bis(ethylaminomethyl)prop-2-enamide?
The InChIKey is LZSOYZHJAUFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h4,10-11H,1,5-8H2,2-3H3.
What are the key properties of N,N-bis(ethylaminomethyl)prop-2-enamide?
N,N-bis(ethylaminomethyl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethylaminomethyl)prop-2-enamide is sourced from PubChem (CID 23174711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).