N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide

C9H19N3O — CID 91281818

IUPACN-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide
SMILESC/C=N/CCCNC(=O)CCNC
InChIInChI=1S/C9H19N3O/c1-3-11-6-4-7-12-9(13)5-8-10-2/h3,10H,4-8H2,1-2H3,(H,12,13)/b11-3+
InChIKeyOZAFKHJCCAYGBI-QDEBKDIKSA-N
MW185.27 g/mol
LogP0.19
Rot. Bonds7

About N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide

N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide (PubChem CID 91281818) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide
PubChem CID91281818
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide
SMILESC/C=N/CCCNC(=O)CCNC
InChIInChI=1S/C9H19N3O/c1-3-11-6-4-7-12-9(13)5-8-10-2/h3,10H,4-8H2,1-2H3,(H,12,13)/b11-3+
InChIKeyOZAFKHJCCAYGBI-QDEBKDIKSA-N
XLogP0.19
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.19
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide?
The IUPAC name of N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide (CID 91281818) is N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide is C/C=N/CCCNC(=O)CCNC.
What is the InChIKey of N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide?
The InChIKey is OZAFKHJCCAYGBI-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11-6-4-7-12-9(13)5-8-10-2/h3,10H,4-8H2,1-2H3,(H,12,13)/b11-3+.
What are the key properties of N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide?
N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide has a molecular weight of 185.27 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylideneamino)propyl]-3-(methylamino)propanamide is sourced from PubChem (CID 91281818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).