N-butylprop-2-enamide;N-ethylethanamine

C11H24N2O — CID 22596658

IUPACN-butylprop-2-enamide;N-ethylethanamine
SMILESC=CC(=O)NCCCC.CCNCC
InChIInChI=1S/C7H13NO.C4H11N/c1-3-5-6-8-7(9)4-2;1-3-5-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);5H,3-4H2,1-2H3
InChIKeySCAMGFOYRXKQID-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.70
Rot. Bonds6

About N-butylprop-2-enamide;N-ethylethanamine

N-butylprop-2-enamide;N-ethylethanamine (PubChem CID 22596658) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butylprop-2-enamide;N-ethylethanamine.

Molecular Properties

Compound NameN-butylprop-2-enamide;N-ethylethanamine
PubChem CID22596658
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butylprop-2-enamide;N-ethylethanamine
SMILESC=CC(=O)NCCCC.CCNCC
InChIInChI=1S/C7H13NO.C4H11N/c1-3-5-6-8-7(9)4-2;1-3-5-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);5H,3-4H2,1-2H3
InChIKeySCAMGFOYRXKQID-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.70
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

N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-heptadecylprop-2-enamide
CID 20727742
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964

Frequently Asked Questions

What is the IUPAC name of N-butylprop-2-enamide;N-ethylethanamine?
The IUPAC name of N-butylprop-2-enamide;N-ethylethanamine (CID 22596658) is N-butylprop-2-enamide;N-ethylethanamine.
What is the SMILES notation for N-butylprop-2-enamide;N-ethylethanamine?
The canonical SMILES for N-butylprop-2-enamide;N-ethylethanamine is C=CC(=O)NCCCC.CCNCC.
What is the InChIKey of N-butylprop-2-enamide;N-ethylethanamine?
The InChIKey is SCAMGFOYRXKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C4H11N/c1-3-5-6-8-7(9)4-2;1-3-5-4-2/h4H,2-3,5-6H2,1H3,(H,8,9);5H,3-4H2,1-2H3.
What are the key properties of N-butylprop-2-enamide;N-ethylethanamine?
N-butylprop-2-enamide;N-ethylethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylprop-2-enamide;N-ethylethanamine is sourced from PubChem (CID 22596658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).