N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide

C15H33N5O — CID 111384845

IUPACN-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCN(CC)CC
InChIInChI=1S/C15H33N5O/c1-7-16-14(17-10-11-20(8-2)9-3)18-12-13(21)19-15(4,5)6/h7-12H2,1-6H3,(H,19,21)(H2,16,17,18)
InChIKeyQDUCJZFWURCCJK-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.80
Rot. Bonds8

About N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide

N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide (PubChem CID 111384845) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
PubChem CID111384845
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC NameN-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCCN(CC)CC
InChIInChI=1S/C15H33N5O/c1-7-16-14(17-10-11-20(8-2)9-3)18-12-13(21)19-15(4,5)6/h7-12H2,1-6H3,(H,19,21)(H2,16,17,18)
InChIKeyQDUCJZFWURCCJK-UHFFFAOYSA-N
XLogP0.80
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.80
H-Bond Donors ≤ 53
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-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide
CID 111839589
N-tert-butyl-2-[[ethylamino-[2-[ethyl(propyl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111839588
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760
N-tert-butyl-2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111691765
N-tert-butyl-2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
2-[[[2-(4-acetylpiperazin-1-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111382697
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-tert-butyl-2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111383495

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide (CID 111384845) is N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCCN(CC)CC.
What is the InChIKey of N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide?
The InChIKey is QDUCJZFWURCCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O/c1-7-16-14(17-10-11-20(8-2)9-3)18-12-13(21)19-15(4,5)6/h7-12H2,1-6H3,(H,19,21)(H2,16,17,18).
What are the key properties of N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide?
N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide has a molecular weight of 299.46 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111384845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).