N-[2-(3-iminopropylideneamino)ethyl]propanamide

C8H15N3O — CID 123206611

IUPACN-[2-(3-iminopropylideneamino)ethyl]propanamide
SMILES[H]/N=C/C/C=N/CCNC(=O)CC
InChIInChI=1S/C8H15N3O/c1-2-8(12)11-7-6-10-5-3-4-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,12)/b9-4+,10-5+
InChIKeyUFEBOHAJMQXLKC-LUZURFALSA-N
MW169.23 g/mol
LogP0.62
Rot. Bonds6

About N-[2-(3-iminopropylideneamino)ethyl]propanamide

N-[2-(3-iminopropylideneamino)ethyl]propanamide (PubChem CID 123206611) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[2-(3-iminopropylideneamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-iminopropylideneamino)ethyl]propanamide
PubChem CID123206611
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[2-(3-iminopropylideneamino)ethyl]propanamide
SMILES[H]/N=C/C/C=N/CCNC(=O)CC
InChIInChI=1S/C8H15N3O/c1-2-8(12)11-7-6-10-5-3-4-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,12)/b9-4+,10-5+
InChIKeyUFEBOHAJMQXLKC-LUZURFALSA-N
XLogP0.62
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.62
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'}

Analyze N-[2-(3-iminopropylideneamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-5,6-dihydropyrazin-2-ol
CID 13045096
1,3,6,7-Tetrahydro-2h-1,4-diazepin-2-one
CID 58919847
(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
CID 155931774
N-[2-(2-acetamidoethylideneamino)ethyl]acetamide
CID 21133795
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
2-(ethylideneamino)-N-methylpropanamide
CID 23384096
3-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethylimino]-2-methylpropanamide
CID 53803188
3-[2-(2-Aminoethylamino)ethylimino]-2-methylpropanamide
CID 54140832
N-ethyl-3-(ethylideneamino)propanamide
CID 57573724
N-[2-(methylideneamino)ethyl]propanamide
CID 88238656
N-(3-iminopropyl)acetamide
CID 89441657
2,3-dimethyl-2,3-dihydro-1H-pyrazin-6-one
CID 89637089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-iminopropylideneamino)ethyl]propanamide?
The IUPAC name of N-[2-(3-iminopropylideneamino)ethyl]propanamide (CID 123206611) is N-[2-(3-iminopropylideneamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(3-iminopropylideneamino)ethyl]propanamide?
The canonical SMILES for N-[2-(3-iminopropylideneamino)ethyl]propanamide is [H]/N=C/C/C=N/CCNC(=O)CC.
What is the InChIKey of N-[2-(3-iminopropylideneamino)ethyl]propanamide?
The InChIKey is UFEBOHAJMQXLKC-LUZURFALSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-8(12)11-7-6-10-5-3-4-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,12)/b9-4+,10-5+.
What are the key properties of N-[2-(3-iminopropylideneamino)ethyl]propanamide?
N-[2-(3-iminopropylideneamino)ethyl]propanamide has a molecular weight of 169.23 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-iminopropylideneamino)ethyl]propanamide is sourced from PubChem (CID 123206611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).