N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide

C13H26N2O — CID 87067566

IUPACN-[5-(diethylamino)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCN(CC)CC
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)11-9-7-8-10-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)
InChIKeyFCTNITLMPHLFPF-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.19
Rot. Bonds9

About N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide

N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide (PubChem CID 87067566) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]-2-methylprop-2-enamide
PubChem CID87067566
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[5-(diethylamino)pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCN(CC)CC
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)11-9-7-8-10-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)
InChIKeyFCTNITLMPHLFPF-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.19
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-(3-methacrylamidopropyl)-N,N-dimethyldodecan-1-aminium bromide
CID 87379589
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-Dodecylmethacrylamide
CID 70928
N-Cyclohexylmethacrylamide
CID 76215
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide (CID 87067566) is N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCN(CC)CC.
What is the InChIKey of N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide?
The InChIKey is FCTNITLMPHLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(6-2)11-9-7-8-10-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16).
What are the key properties of N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide?
N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87067566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).