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

C14H28N4O2 — CID 109381926

IUPAC3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1
InChIInChI=1S/C14H28N4O2/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)
InChIKeyRXXPZXFFIHJRLL-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.40
Rot. Bonds6

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

3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 109381926) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide
PubChem CID109381926
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1
InChIInChI=1S/C14H28N4O2/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)
InChIKeyRXXPZXFFIHJRLL-UHFFFAOYSA-N
XLogP0.40
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.40
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'}

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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?
The IUPAC name of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide (CID 109381926) is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide is CCN/C(=N\CCC(=O)N(C)C)N(C)CC1CCOC1.
What is the InChIKey of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is RXXPZXFFIHJRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/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).
What are the key properties of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 284.40 g/mol, XLogP of 0.40, 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 is sourced from PubChem (CID 109381926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).