2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide

C12H24N2O — CID 87504173

IUPAC2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNCCCCC
InChIInChI=1S/C12H24N2O/c1-4-5-6-8-13-9-7-10-14-12(15)11(2)3/h13H,2,4-10H2,1,3H3,(H,14,15)
InChIKeyOLQXQXCDBAFUIL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds9

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

2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide (PubChem CID 87504173) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
PubChem CID87504173
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNCCCCC
InChIInChI=1S/C12H24N2O/c1-4-5-6-8-13-9-7-10-14-12(15)11(2)3/h13H,2,4-10H2,1,3H3,(H,14,15)
InChIKeyOLQXQXCDBAFUIL-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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'}

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Related Compounds

N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N-[3-(2-methylprop-2-enoylamino)propyl]hexanamide
CID 22292211
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide (CID 87504173) is 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide is C=C(C)C(=O)NCCCNCCCCC.
What is the InChIKey of 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide?
The InChIKey is OLQXQXCDBAFUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-8-13-9-7-10-14-12(15)11(2)3/h13H,2,4-10H2,1,3H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide?
2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide is sourced from PubChem (CID 87504173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).