tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate

C10H19N3O2 — CID 20622497

IUPACtert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCN=C1N
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(13)11/h4-7H2,1-3H3,(H2,11,12)
InChIKeyFYGUCDSVZWHROJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.33
Rot. Bonds

About tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate

tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate (PubChem CID 20622497) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
PubChem CID20622497
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCN=C1N
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(13)11/h4-7H2,1-3H3,(H2,11,12)
InChIKeyFYGUCDSVZWHROJ-UHFFFAOYSA-N
XLogP1.33
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate 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 (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
CID 82391666
tert-butyl 2-imino-3-methylideneazepane-1-carboxylate
CID 142348179
tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10015249
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
CID 142484543
tert-butyl 6-trimethylsilyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 69254395
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate (CID 20622497) is tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCN=C1N.
What is the InChIKey of tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate?
The InChIKey is FYGUCDSVZWHROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(13)11/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate?
tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate is sourced from PubChem (CID 20622497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).