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

C9H17N3O — CID 88746598

IUPACN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCCN
InChIInChI=1S/C9H17N3O/c1-8(2)9(13)12-7-6-11-5-3-4-10/h6H,1,3-5,7,10H2,2H3,(H,12,13)/b11-6+
InChIKeyUCFCUGDSHOODGA-IZZDOVSWSA-N
MW183.25 g/mol
LogP0.10
Rot. Bonds6

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

N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide (PubChem CID 88746598) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide
PubChem CID88746598
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCCN
InChIInChI=1S/C9H17N3O/c1-8(2)9(13)12-7-6-11-5-3-4-10/h6H,1,3-5,7,10H2,2H3,(H,12,13)/b11-6+
InChIKeyUCFCUGDSHOODGA-IZZDOVSWSA-N
XLogP0.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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?
The IUPAC name of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide (CID 88746598) is N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC/C=N/CCCN.
What is the InChIKey of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide?
The InChIKey is UCFCUGDSHOODGA-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)9(13)12-7-6-11-5-3-4-10/h6H,1,3-5,7,10H2,2H3,(H,12,13)/b11-6+.
What are the key properties of N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide?
N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropylimino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 88746598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).