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

C10H19N3O — CID 54090962

IUPACN-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC/C=N/CCCN
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)13-8-4-7-12-6-3-5-11/h7H,1,3-6,8,11H2,2H3,(H,13,14)/b12-7+
InChIKeyMTUUBMAZBRWKLO-KPKJPENVSA-N
MW197.28 g/mol
LogP0.49
Rot. Bonds7

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

N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide (PubChem CID 54090962) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide
PubChem CID54090962
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC/C=N/CCCN
InChIInChI=1S/C10H19N3O/c1-9(2)10(14)13-8-4-7-12-6-3-5-11/h7H,1,3-6,8,11H2,2H3,(H,13,14)/b12-7+
InChIKeyMTUUBMAZBRWKLO-KPKJPENVSA-N
XLogP0.49
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.49
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-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide (CID 54090962) is N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCC/C=N/CCCN.
What is the InChIKey of N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide?
The InChIKey is MTUUBMAZBRWKLO-KPKJPENVSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)10(14)13-8-4-7-12-6-3-5-11/h7H,1,3-6,8,11H2,2H3,(H,13,14)/b12-7+.
What are the key properties of N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide?
N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylimino)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 54090962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).