N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene

C13H25NO — CID 174789419

IUPACN-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
SMILESC=C(C)C(=O)NCCCC.CC=C(C)C
InChIInChI=1S/C8H15NO.C5H10/c1-4-5-6-9-8(10)7(2)3;1-4-5(2)3/h2,4-6H2,1,3H3,(H,9,10);4H,1-3H3
InChIKeyCHYIGCWONXOUDI-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.45
Rot. Bonds4

About N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene

N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene (PubChem CID 174789419) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
PubChem CID174789419
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
SMILESC=C(C)C(=O)NCCCC.CC=C(C)C
InChIInChI=1S/C8H15NO.C5H10/c1-4-5-6-9-8(10)7(2)3;1-4-5(2)3/h2,4-6H2,1,3H3,(H,9,10);4H,1-3H3
InChIKeyCHYIGCWONXOUDI-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-butyl-2-methylprop-2-enamide;bis(N,N-dimethylmethanamine);methyl hydrogen sulfate
CID 173048694
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene?
The IUPAC name of N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene (CID 174789419) is N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene.
What is the SMILES notation for N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene?
The canonical SMILES for N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene is C=C(C)C(=O)NCCCC.CC=C(C)C.
What is the InChIKey of N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene?
The InChIKey is CHYIGCWONXOUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C5H10/c1-4-5-6-9-8(10)7(2)3;1-4-5(2)3/h2,4-6H2,1,3H3,(H,9,10);4H,1-3H3.
What are the key properties of N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene?
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene has a molecular weight of 211.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene is sourced from PubChem (CID 174789419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).