tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate

C10H21N3O2 — CID 121207695

IUPACtert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)(CN)C1
InChIInChI=1S/C10H21N3O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,11-12H2,1-3H3
InChIKeyRKVLOTJYDIXLDZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.14
Rot. Bonds2

About tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate

tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate (PubChem CID 121207695) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate
PubChem CID121207695
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)(CN)C1
InChIInChI=1S/C10H21N3O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,11-12H2,1-3H3
InChIKeyRKVLOTJYDIXLDZ-UHFFFAOYSA-N
XLogP0.14
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3,3-bis(aminomethyl)azetidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate (CID 121207695) is tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CN)(CN)C1.
What is the InChIKey of tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate?
The InChIKey is RKVLOTJYDIXLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,11-12H2,1-3H3.
What are the key properties of tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate?
tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate has a molecular weight of 215.30 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-bis(aminomethyl)azetidine-1-carboxylate is sourced from PubChem (CID 121207695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).