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

C14H28N4O2 — CID 158225145

IUPACN-(3-aminopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCN
InChIInChI=1S/2C7H14N2O/c2*1-6(2)7(10)9-5-3-4-8/h2*1,3-5,8H2,2H3,(H,9,10)
InChIKeyGDRZDIUTHQQRAB-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.05
Rot. Bonds8

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

N-(3-aminopropyl)-2-methylprop-2-enamide (PubChem CID 158225145) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylprop-2-enamide
PubChem CID158225145
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-(3-aminopropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCN
InChIInChI=1S/2C7H14N2O/c2*1-6(2)7(10)9-5-3-4-8/h2*1,3-5,8H2,2H3,(H,9,10)
InChIKeyGDRZDIUTHQQRAB-UHFFFAOYSA-N
XLogP0.05
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
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
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
N-icosyl-2-methylprop-2-enamide
CID 22336363
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
CID 22616707
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-aminopropyl)-2-methylprop-2-enamide (CID 158225145) is N-(3-aminopropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-aminopropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methylprop-2-enamide?
The InChIKey is GDRZDIUTHQQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2O/c2*1-6(2)7(10)9-5-3-4-8/h2*1,3-5,8H2,2H3,(H,9,10).
What are the key properties of N-(3-aminopropyl)-2-methylprop-2-enamide?
N-(3-aminopropyl)-2-methylprop-2-enamide has a molecular weight of 284.40 g/mol, XLogP of 0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 158225145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).