N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen

C7H16N2O — CID 143745168

IUPACN-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)NCCCN.[H][H]
InChIInChI=1S/C7H14N2O.H2/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H
InChIKeyPGQQNKQPCCOUHQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.27
Rot. Bonds4

About N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen

N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen (PubChem CID 143745168) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
PubChem CID143745168
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
SMILESC=C(C)C(=O)NCCCN.[H][H]
InChIInChI=1S/C7H14N2O.H2/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H
InChIKeyPGQQNKQPCCOUHQ-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.27
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-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
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;molecular hydrogen?
The IUPAC name of N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen (CID 143745168) is N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen?
The canonical SMILES for N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen is C=C(C)C(=O)NCCCN.[H][H].
What is the InChIKey of N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen?
The InChIKey is PGQQNKQPCCOUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.H2/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H.
What are the key properties of N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen?
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen has a molecular weight of 144.22 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 143745168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).