N-[(dipentylamino)methyl]prop-2-enamide

C14H28N2O — CID 87504123

IUPACN-[(dipentylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(CCCCC)CCCCC
InChIInChI=1S/C14H28N2O/c1-4-7-9-11-16(12-10-8-5-2)13-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17)
InChIKeyQUCAXFXYUJIDPT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.93
Rot. Bonds11

About N-[(dipentylamino)methyl]prop-2-enamide

N-[(dipentylamino)methyl]prop-2-enamide (PubChem CID 87504123) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(dipentylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(dipentylamino)methyl]prop-2-enamide
PubChem CID87504123
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(dipentylamino)methyl]prop-2-enamide
SMILESC=CC(=O)NCN(CCCCC)CCCCC
InChIInChI=1S/C14H28N2O/c1-4-7-9-11-16(12-10-8-5-2)13-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17)
InChIKeyQUCAXFXYUJIDPT-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-((Dibutylamino)methyl)acrylamide
CID 92692
N-[(Dimethylamino)methyl]prop-2-enimidic acid--prop-2-enimidic acid (1/1)
CID 170477
N,N-(dimethylamino)propylacrylamide
CID 19831617
N-[(dimethylamino)methyl]prop-2-enamide;dimethyl-bis(prop-2-enyl)azanium;chloride
CID 44150303
(piperidin-1-yl)-N-(prop-2-ynyl) acrylamide
CID 133083847
N-[[bis(prop-2-enyl)amino]methyl]acetamide
CID 241029
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium chloride
CID 11160059
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium
CID 11160060
N-[1-(dimethylamino)ethyl]prop-2-enamide;prop-2-en-1-amine
CID 17973364
N-[1-(dimethylamino)ethyl]prop-2-enamide
CID 17973365
N-[1-(ethylamino)propyl]prop-2-enamide
CID 18325505
N-methyl-N-[1-(methylamino)ethyl]prop-2-enamide
CID 18325542

Frequently Asked Questions

What is the IUPAC name of N-[(dipentylamino)methyl]prop-2-enamide?
The IUPAC name of N-[(dipentylamino)methyl]prop-2-enamide (CID 87504123) is N-[(dipentylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-[(dipentylamino)methyl]prop-2-enamide?
The canonical SMILES for N-[(dipentylamino)methyl]prop-2-enamide is C=CC(=O)NCN(CCCCC)CCCCC.
What is the InChIKey of N-[(dipentylamino)methyl]prop-2-enamide?
The InChIKey is QUCAXFXYUJIDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-9-11-16(12-10-8-5-2)13-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17).
What are the key properties of N-[(dipentylamino)methyl]prop-2-enamide?
N-[(dipentylamino)methyl]prop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipentylamino)methyl]prop-2-enamide is sourced from PubChem (CID 87504123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).