N-[3-(hexylamino)propyl]prop-2-enamide

C12H24N2O — CID 87503959

IUPACN-[3-(hexylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCNCCCCCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h4,13H,2-3,5-11H2,1H3,(H,14,15)
InChIKeyBAFMVFMEJWFETP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds10

About N-[3-(hexylamino)propyl]prop-2-enamide

N-[3-(hexylamino)propyl]prop-2-enamide (PubChem CID 87503959) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(hexylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(hexylamino)propyl]prop-2-enamide
PubChem CID87503959
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(hexylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCNCCCCCC
InChIInChI=1S/C12H24N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h4,13H,2-3,5-11H2,1H3,(H,14,15)
InChIKeyBAFMVFMEJWFETP-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}

Analyze N-[3-(hexylamino)propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptadecylprop-2-enamide
CID 20727742
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
N-[4-(propylamino)butyl]prop-2-enamide
CID 87503940
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)propyl]prop-2-enamide?
The IUPAC name of N-[3-(hexylamino)propyl]prop-2-enamide (CID 87503959) is N-[3-(hexylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(hexylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(hexylamino)propyl]prop-2-enamide is C=CC(=O)NCCCNCCCCCC.
What is the InChIKey of N-[3-(hexylamino)propyl]prop-2-enamide?
The InChIKey is BAFMVFMEJWFETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-5-6-7-9-13-10-8-11-14-12(15)4-2/h4,13H,2-3,5-11H2,1H3,(H,14,15).
What are the key properties of N-[3-(hexylamino)propyl]prop-2-enamide?
N-[3-(hexylamino)propyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)propyl]prop-2-enamide is sourced from PubChem (CID 87503959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).