3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide

C14H29IN4O2 — CID 109381925

IUPAC3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-5-15-14(16-8-6-13(19)17(2)3)18(4)10-12-7-9-20-11-12;/h12H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyQFUWYISHPSCLOP-UHFFFAOYSA-N
MW412.32 g/mol
LogP1.02
Rot. Bonds6

About 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide

3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide (PubChem CID 109381925) has the molecular formula C14H29IN4O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
PubChem CID109381925
Molecular FormulaC14H29IN4O2
Molecular Weight412.32 g/mol
Exact Mass412.13
IUPAC Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
SMILESCCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-5-15-14(16-8-6-13(19)17(2)3)18(4)10-12-7-9-20-11-12;/h12H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyQFUWYISHPSCLOP-UHFFFAOYSA-N
XLogP1.02
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide (CID 109381925) is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide is CCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1.I.
What is the InChIKey of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
The InChIKey is QFUWYISHPSCLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.HI/c1-5-15-14(16-8-6-13(19)17(2)3)18(4)10-12-7-9-20-11-12;/h12H,5-11H2,1-4H3,(H,15,16);1H.
What are the key properties of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide?
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109381925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).