N-(2-aminopropyl)but-3-enamide

C7H14N2O — CID 63731694

IUPACN-(2-aminopropyl)but-3-enamide
SMILESC=CCC(=O)NCC(C)N
InChIInChI=1S/C7H14N2O/c1-3-4-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyRZLHTQGQDRBPLF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds4

About N-(2-aminopropyl)but-3-enamide

N-(2-aminopropyl)but-3-enamide (PubChem CID 63731694) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(2-aminopropyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-aminopropyl)but-3-enamide
PubChem CID63731694
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(2-aminopropyl)but-3-enamide
SMILESC=CCC(=O)NCC(C)N
InChIInChI=1S/C7H14N2O/c1-3-4-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyRZLHTQGQDRBPLF-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)prop-2-enamide
CID 19993421
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
N-(2-aminopropyl)octadecanamide
CID 86003506
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
N-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
N-(2-aminopropyl)-2-cyanoacetamide
CID 117126576
N-methylbut-3-enamide
CID 13113546
3-methylidenehex-5-en-2-amine
CID 173274265
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
N-hydroxybut-3-enamide
CID 11804686
N-(trimethoxysilylmethyl)but-3-enamide
CID 87602585

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)but-3-enamide?
The IUPAC name of N-(2-aminopropyl)but-3-enamide (CID 63731694) is N-(2-aminopropyl)but-3-enamide.
What is the SMILES notation for N-(2-aminopropyl)but-3-enamide?
The canonical SMILES for N-(2-aminopropyl)but-3-enamide is C=CCC(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)but-3-enamide?
The InChIKey is RZLHTQGQDRBPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10).
What are the key properties of N-(2-aminopropyl)but-3-enamide?
N-(2-aminopropyl)but-3-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)but-3-enamide is sourced from PubChem (CID 63731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).