N-butylbutan-1-amine;N-ethylprop-2-enamide

C13H28N2O — CID 22596685

IUPACN-butylbutan-1-amine;N-ethylprop-2-enamide
SMILESC=CC(=O)NCC.CCCCNCCCC
InChIInChI=1S/C8H19N.C5H9NO/c1-3-5-7-9-8-6-4-2;1-3-5(7)6-4-2/h9H,3-8H2,1-2H3;3H,1,4H2,2H3,(H,6,7)
InChIKeyKEFDUPGWEWRBLD-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.48
Rot. Bonds8

About N-butylbutan-1-amine;N-ethylprop-2-enamide

N-butylbutan-1-amine;N-ethylprop-2-enamide (PubChem CID 22596685) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-butylbutan-1-amine;N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-butylbutan-1-amine;N-ethylprop-2-enamide
PubChem CID22596685
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-butylbutan-1-amine;N-ethylprop-2-enamide
SMILESC=CC(=O)NCC.CCCCNCCCC
InChIInChI=1S/C8H19N.C5H9NO/c1-3-5-7-9-8-6-4-2;1-3-5(7)6-4-2/h9H,3-8H2,1-2H3;3H,1,4H2,2H3,(H,6,7)
InChIKeyKEFDUPGWEWRBLD-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Acrylamidopropyl)trimethylammonium chloride
CID 170750
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
1,6-Hexamethylenebisacrylamide
CID 250559
n-Butyl-2-propenamide
CID 642908
N,N-Dimethylaminopropyl acrylamide
CID 77452
2-Propenamide, N-octyl-
CID 82370
N-Dodecylacrylamide
CID 73929
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
N,N-`Bisacrylamido-1,3-propan
CID 11636931
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;N-ethylprop-2-enamide?
The IUPAC name of N-butylbutan-1-amine;N-ethylprop-2-enamide (CID 22596685) is N-butylbutan-1-amine;N-ethylprop-2-enamide.
What is the SMILES notation for N-butylbutan-1-amine;N-ethylprop-2-enamide?
The canonical SMILES for N-butylbutan-1-amine;N-ethylprop-2-enamide is C=CC(=O)NCC.CCCCNCCCC.
What is the InChIKey of N-butylbutan-1-amine;N-ethylprop-2-enamide?
The InChIKey is KEFDUPGWEWRBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H9NO/c1-3-5-7-9-8-6-4-2;1-3-5(7)6-4-2/h9H,3-8H2,1-2H3;3H,1,4H2,2H3,(H,6,7).
What are the key properties of N-butylbutan-1-amine;N-ethylprop-2-enamide?
N-butylbutan-1-amine;N-ethylprop-2-enamide has a molecular weight of 228.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;N-ethylprop-2-enamide is sourced from PubChem (CID 22596685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).