N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide

C11H22N2O — CID 87120194

IUPACN-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)CCCC
InChIInChI=1S/C11H22N2O/c1-5-6-8-13(4)9-7-12-11(14)10(2)3/h2,5-9H2,1,3-4H3,(H,12,14)
InChIKeyFWHYWIOPQKIPEX-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds7

About N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide

N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 87120194) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID87120194
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN(C)CCCC
InChIInChI=1S/C11H22N2O/c1-5-6-8-13(4)9-7-12-11(14)10(2)3/h2,5-9H2,1,3-4H3,(H,12,14)
InChIKeyFWHYWIOPQKIPEX-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
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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Related Compounds

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
N-(3-Aminopropyl) methacrylamide
CID 2734954
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide (CID 87120194) is N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN(C)CCCC.
What is the InChIKey of N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is FWHYWIOPQKIPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-6-8-13(4)9-7-12-11(14)10(2)3/h2,5-9H2,1,3-4H3,(H,12,14).
What are the key properties of N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87120194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).