3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide

C15H30N4O2 — CID 109385439

IUPAC3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(=O)NC)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O2/c1-6-17-14(18-11-15(2,3)13(20)16-4)19(5)9-12-7-8-21-10-12/h12H,6-11H2,1-5H3,(H,16,20)(H,17,18)
InChIKeyLIFTXMWIIOTYAQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.69
Rot. Bonds6

About 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide

3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 109385439) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID109385439
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(=O)NC)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O2/c1-6-17-14(18-11-15(2,3)13(20)16-4)19(5)9-12-7-8-21-10-12/h12H,6-11H2,1-5H3,(H,16,20)(H,17,18)
InChIKeyLIFTXMWIIOTYAQ-UHFFFAOYSA-N
XLogP0.69
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
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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Related Compounds

N-ethyl-3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109385436
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799
2-(2-tert-butylsulfinylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386781
2-(2-tert-butylsulfonylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384867
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
3-ethyl-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382150
3-ethyl-2-[(4-ethylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386185
3-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383330
3-ethyl-2-(2-ethyl-2-phenylbutyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386804
tert-butyl N-cyclopropyl-N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]carbamate
CID 109383500
methyl 5-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]pentanoate
CID 109386347
3-ethyl-1-methyl-2-(3-methylsulfonylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382726

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide (CID 109385439) is 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide is CCN/C(=N\CC(C)(C)C(=O)NC)N(C)CC1CCOC1.
What is the InChIKey of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is LIFTXMWIIOTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-6-17-14(18-11-15(2,3)13(20)16-4)19(5)9-12-7-8-21-10-12/h12H,6-11H2,1-5H3,(H,16,20)(H,17,18).
What are the key properties of 3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 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,2,2-trimethylpropanamide is sourced from PubChem (CID 109385439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).