3-(methyliminomethylideneamino)propan-1-amine

C5H11N3 — CID 54234290

IUPAC3-(methyliminomethylideneamino)propan-1-amine
SMILESCN=C=NCCCN
InChIInChI=1S/C5H11N3/c1-7-5-8-4-2-3-6/h2-4,6H2,1H3
InChIKeyQLKQORXPJAGYAT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds3

About 3-(methyliminomethylideneamino)propan-1-amine

3-(methyliminomethylideneamino)propan-1-amine (PubChem CID 54234290) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(methyliminomethylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-(methyliminomethylideneamino)propan-1-amine
PubChem CID54234290
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name3-(methyliminomethylideneamino)propan-1-amine
SMILESCN=C=NCCCN
InChIInChI=1S/C5H11N3/c1-7-5-8-4-2-3-6/h2-4,6H2,1H3
InChIKeyQLKQORXPJAGYAT-UHFFFAOYSA-N
XLogP0.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
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 3-(methyliminomethylideneamino)propan-1-amine?
The IUPAC name of 3-(methyliminomethylideneamino)propan-1-amine (CID 54234290) is 3-(methyliminomethylideneamino)propan-1-amine.
What is the SMILES notation for 3-(methyliminomethylideneamino)propan-1-amine?
The canonical SMILES for 3-(methyliminomethylideneamino)propan-1-amine is CN=C=NCCCN.
What is the InChIKey of 3-(methyliminomethylideneamino)propan-1-amine?
The InChIKey is QLKQORXPJAGYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-7-5-8-4-2-3-6/h2-4,6H2,1H3.
What are the key properties of 3-(methyliminomethylideneamino)propan-1-amine?
3-(methyliminomethylideneamino)propan-1-amine has a molecular weight of 113.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliminomethylideneamino)propan-1-amine is sourced from PubChem (CID 54234290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).