N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide

C10H20N2O — CID 54486464

IUPACN,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCNC
InChIInChI=1S/C10H20N2O/c1-9(2)10(13)12(4)8-6-5-7-11-3/h11H,1,5-8H2,2-4H3
InChIKeyXSQVKIKIONKFLK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds6

About N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide

N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide (PubChem CID 54486464) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide
PubChem CID54486464
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCCNC
InChIInChI=1S/C10H20N2O/c1-9(2)10(13)12(4)8-6-5-7-11-3/h11H,1,5-8H2,2-4H3
InChIKeyXSQVKIKIONKFLK-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-Isopropylmethacrylamide
CID 83698
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-Allylmethacrylamide
CID 75139
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

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide (CID 54486464) is N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide is C=C(C)C(=O)N(C)CCCCNC.
What is the InChIKey of N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide?
The InChIKey is XSQVKIKIONKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)10(13)12(4)8-6-5-7-11-3/h11H,1,5-8H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide?
N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(methylamino)butyl]prop-2-enamide is sourced from PubChem (CID 54486464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).