N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide

C15H30N2O — CID 10445042

IUPACN-[3-(dibutylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C15H30N2O/c1-5-7-11-17(12-8-6-2)13-9-10-16-15(18)14(3)4/h3,5-13H2,1-2,4H3,(H,16,18)
InChIKeyVXLXPCAZDOFMIK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.97
Rot. Bonds11

About N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide

N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide (PubChem CID 10445042) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]-2-methylprop-2-enamide
PubChem CID10445042
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-(dibutylamino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C15H30N2O/c1-5-7-11-17(12-8-6-2)13-9-10-16-15(18)14(3)4/h3,5-13H2,1-2,4H3,(H,16,18)
InChIKeyVXLXPCAZDOFMIK-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.97
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,N-Dimethylaminopropyl acrylamide
CID 77452
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
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-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-[3-(dibutylamino)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide (CID 10445042) is N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN(CCCC)CCCC.
What is the InChIKey of N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide?
The InChIKey is VXLXPCAZDOFMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-11-17(12-8-6-2)13-9-10-16-15(18)14(3)4/h3,5-13H2,1-2,4H3,(H,16,18).
What are the key properties of N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide?
N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide has a molecular weight of 254.42 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 10445042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).