2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C11H25IN4O — CID 111150712

IUPAC2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCN/C(=N/CC(=O)N(C)C)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-5-7-8-13-11(12-6-2)14-9-10(16)15(3)4;/h5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyPTAVDLLCCYAANI-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.05
Rot. Bonds6

About 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111150712) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111150712
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCCN/C(=N/CC(=O)N(C)C)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-5-7-8-13-11(12-6-2)14-9-10(16)15(3)4;/h5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyPTAVDLLCCYAANI-UHFFFAOYSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
2-[[(3-cyclopropylpropylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111796815
2-[[butylamino-[2-[di(propan-2-yl)amino]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111247023
2-[[ethylamino-[4-(4-methylpiperazin-1-yl)butylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365234
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555
2-[[butylamino-[2-(3,5-dimethylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111649584
2-[[[3-(benzenesulfonyl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364318
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111150712) is 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCCCN/C(=N/CC(=O)N(C)C)NCC.I.
What is the InChIKey of 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is PTAVDLLCCYAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-5-7-8-13-11(12-6-2)14-9-10(16)15(3)4;/h5-9H2,1-4H3,(H2,12,13,14);1H.
What are the key properties of 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111150712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).