N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide

C13H24N4O2 — CID 88746597

IUPACN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCCN.C=C(C)C(N)=O
InChIInChI=1S/C9H17N3O.C4H7NO/c1-8(2)9(13)12-7-6-11-5-3-4-10;1-3(2)4(5)6/h6H,1,3-5,7,10H2,2H3,(H,12,13);1H2,2H3,(H2,5,6)/b11-6+;
InChIKeyNSZOPGAXDWVTAI-ICSBZGNSSA-N
MW268.36 g/mol
LogP0.15
Rot. Bonds7

About N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide

N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide (PubChem CID 88746597) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
PubChem CID88746597
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCCN.C=C(C)C(N)=O
InChIInChI=1S/C9H17N3O.C4H7NO/c1-8(2)9(13)12-7-6-11-5-3-4-10;1-3(2)4(5)6/h6H,1,3-5,7,10H2,2H3,(H,12,13);1H2,2H3,(H2,5,6)/b11-6+;
InChIKeyNSZOPGAXDWVTAI-ICSBZGNSSA-N
XLogP0.15
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The IUPAC name of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide (CID 88746597) is N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide is C=C(C)C(=O)NC/C=N/CCCN.C=C(C)C(N)=O.
What is the InChIKey of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
The InChIKey is NSZOPGAXDWVTAI-ICSBZGNSSA-N. The full InChI is InChI=1S/C9H17N3O.C4H7NO/c1-8(2)9(13)12-7-6-11-5-3-4-10;1-3(2)4(5)6/h6H,1,3-5,7,10H2,2H3,(H,12,13);1H2,2H3,(H2,5,6)/b11-6+;.
What are the key properties of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide?
N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide has a molecular weight of 268.36 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 88746597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).