tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate

C16H32N4O2 — CID 110956280

IUPACtert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CCN(CC)C(=O)OC(C)(C)C)N1CCCC1
InChIInChI=1S/C16H32N4O2/c1-6-17-14(20-11-8-9-12-20)18-10-13-19(7-2)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18)
InChIKeyRLYRPVKKUDYDPQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.30
Rot. Bonds5

About tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate (PubChem CID 110956280) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
PubChem CID110956280
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nametert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CCN(CC)C(=O)OC(C)(C)C)N1CCCC1
InChIInChI=1S/C16H32N4O2/c1-6-17-14(20-11-8-9-12-20)18-10-13-19(7-2)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18)
InChIKeyRLYRPVKKUDYDPQ-UHFFFAOYSA-N
XLogP2.30
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.30
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'}

Analyze tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-ethyl-N-[2-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]ethyl]carbamate;hydroiodide
CID 111300928
tert-butyl N-[4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butan-2-yl]-N-methylcarbamate
CID 111826130
ethyl 4-[N-ethyl-N'-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163739
tert-butyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-N-ethylcarbamate;hydroiodide
CID 110991852
tert-butyl 4-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 110956629
tert-butyl N-[2-[[[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109392805
tert-butyl N-[3-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]-2-methylpropyl]-N-methylcarbamate;hydroiodide
CID 111779176
tert-butyl N-[2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate
CID 109395772
N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110956103
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate (CID 110956280) is tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate is CCN/C(=N\CCN(CC)C(=O)OC(C)(C)C)N1CCCC1.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate?
The InChIKey is RLYRPVKKUDYDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-6-17-14(20-11-8-9-12-20)18-10-13-19(7-2)15(21)22-16(3,4)5/h6-13H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate has a molecular weight of 312.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate is sourced from PubChem (CID 110956280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).