3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane

C9H20IN3 — CID 10236463

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
SMILESCCN=C=NCCCN(C)C.CI
InChIInChI=1S/C8H17N3.CH3I/c1-4-9-8-10-6-5-7-11(2)3;1-2/h4-7H2,1-3H3;1H3
InChIKeyASYVZGDYOMRIPZ-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.18
Rot. Bonds5

About 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane (PubChem CID 10236463) has the molecular formula C9H20IN3 and a molecular weight of 297.18 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
PubChem CID10236463
Molecular FormulaC9H20IN3
Molecular Weight297.18 g/mol
Exact Mass297.07
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
SMILESCCN=C=NCCCN(C)C.CI
InChIInChI=1S/C8H17N3.CH3I/c1-4-9-8-10-6-5-7-11(2)3;1-2/h4-7H2,1-3H3;1H3
InChIKeyASYVZGDYOMRIPZ-UHFFFAOYSA-N
XLogP2.18
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane (CID 10236463) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane is CCN=C=NCCCN(C)C.CI.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
The InChIKey is ASYVZGDYOMRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.CH3I/c1-4-9-8-10-6-5-7-11(2)3;1-2/h4-7H2,1-3H3;1H3.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane has a molecular weight of 297.18 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane is sourced from PubChem (CID 10236463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).