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

C10H23N3OS — CID 87433592

IUPAC3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
SMILESCCN=C=NCCCN(C)C.CS(C)=O
InChIInChI=1S/C8H17N3.C2H6OS/c1-4-9-8-10-6-5-7-11(2)3;1-4(2)3/h4-7H2,1-3H3;1-2H3
InChIKeyMJDYGTSOGAHWSV-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.13
Rot. Bonds5

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

3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane (PubChem CID 87433592) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane.

Molecular Properties

Compound Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
PubChem CID87433592
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane
SMILESCCN=C=NCCCN(C)C.CS(C)=O
InChIInChI=1S/C8H17N3.C2H6OS/c1-4-9-8-10-6-5-7-11(2)3;1-4(2)3/h4-7H2,1-3H3;1-2H3
InChIKeyMJDYGTSOGAHWSV-UHFFFAOYSA-N
XLogP1.13
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 146446789
azane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174499626
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;silver;hydrochloride
CID 174929426
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;propan-2-one
CID 158337348
ethene;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 87575427
butan-1-ol;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 170171084
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 86755171
N,N-dimethyl-3-(propyliminomethylideneamino)propan-1-amine
CID 11480685
trisodium;dihydrogen phosphate;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrogen phosphate;hydrochloride
CID 174942509
1-chlorotetradecane;3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CID 174522599
3-(ethyliminomethylideneamino)-N,N-bis(sulfanyl)propan-1-amine
CID 150563881
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide
CID 118455345

Frequently Asked Questions

What is the IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane?
The IUPAC name of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane (CID 87433592) is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane.
What is the SMILES notation for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane?
The canonical SMILES for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane is CCN=C=NCCCN(C)C.CS(C)=O.
What is the InChIKey of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane?
The InChIKey is MJDYGTSOGAHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C2H6OS/c1-4-9-8-10-6-5-7-11(2)3;1-4(2)3/h4-7H2,1-3H3;1-2H3.
What are the key properties of 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane?
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane has a molecular weight of 233.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;methylsulfinylmethane is sourced from PubChem (CID 87433592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).