tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate

C15H30N4O3 — CID 109382320

IUPACtert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate
SMILESC/N=C(\NCCNC(=O)OC(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O3/c1-15(2,3)22-14(20)18-8-7-17-13(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,17)(H,18,20)
InChIKeyGLFSTUUEVLWVTH-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.05
Rot. Bonds5

About tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate (PubChem CID 109382320) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate
PubChem CID109382320
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Nametert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate
SMILESC/N=C(\NCCNC(=O)OC(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O3/c1-15(2,3)22-14(20)18-8-7-17-13(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,17)(H,18,20)
InChIKeyGLFSTUUEVLWVTH-UHFFFAOYSA-N
XLogP1.05
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]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 6-(oxolan-3-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397990
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 109381589
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 109381590
tert-butyl N-[3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]propyl]carbamate;hydroiodide
CID 109381855
tert-butyl N-[3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]propyl]carbamate
CID 109381856
ethyl N-[1-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 109381919
ethyl N-[1-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-4-methylpentan-2-yl]carbamate
CID 109381920
tert-butyl N-[1-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 109382201
tert-butyl N-[1-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]pentan-2-yl]carbamate
CID 109382202
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109382319
tert-butyl 4-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 109382347
tert-butyl 4-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]piperazine-1-carboxylate
CID 109382348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate (CID 109382320) is tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate is C/N=C(\NCCNC(=O)OC(C)(C)C)N(C)CC1CCOC1.
What is the InChIKey of tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate?
The InChIKey is GLFSTUUEVLWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-15(2,3)22-14(20)18-8-7-17-13(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,17)(H,18,20).
What are the key properties of tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]carbamate is sourced from PubChem (CID 109382320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).