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

C12H26N4O — CID 111226095

IUPACN-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N/CC(=O)NC(C)(C)C)NCC
InChIInChI=1S/C12H26N4O/c1-6-8-14-11(13-7-2)15-9-10(17)16-12(3,4)5/h6-9H2,1-5H3,(H,16,17)(H2,13,14,15)
InChIKeyLDBGKFPKVRVHHH-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.87
Rot. Bonds5

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

N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide (PubChem CID 111226095) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
PubChem CID111226095
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N/CC(=O)NC(C)(C)C)NCC
InChIInChI=1S/C12H26N4O/c1-6-8-14-11(13-7-2)15-9-10(17)16-12(3,4)5/h6-9H2,1-5H3,(H,16,17)(H2,13,14,15)
InChIKeyLDBGKFPKVRVHHH-UHFFFAOYSA-N
XLogP0.87
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(3-methylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 110978288
N-tert-butyl-2-[[[2-(diethylamino)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384845
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
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760
N-tert-butyl-2-[[[4-(diethylamino)butylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385375
N-tert-butyl-2-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382741
N-tert-butyl-2-[[ethylamino-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methylidene]amino]acetamide
CID 111366235
N-tert-butyl-2-[[[3-[di(propan-2-yl)amino]propylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111691765
2-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111383862
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-[[ethylamino(propylamino)methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide (CID 111226095) is N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide is CCCN/C(=N/CC(=O)NC(C)(C)C)NCC.
What is the InChIKey of N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide?
The InChIKey is LDBGKFPKVRVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-6-8-14-11(13-7-2)15-9-10(17)16-12(3,4)5/h6-9H2,1-5H3,(H,16,17)(H2,13,14,15).
What are the key properties of N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide has a molecular weight of 242.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111226095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).