tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate

C14H26N2O2 — CID 84708288

IUPACtert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCC1C1(N)CC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-4-5-7-11(16)14(15)8-9-14/h11H,4-10,15H2,1-3H3
InChIKeyLGULBNJGIGDUKA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate

tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate (PubChem CID 84708288) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate
PubChem CID84708288
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCCC1C1(N)CC1
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-4-5-7-11(16)14(15)8-9-14/h11H,4-10,15H2,1-3H3
InChIKeyLGULBNJGIGDUKA-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(1-aminocyclopropyl)azepane-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 2-(1-aminocyclopentyl)pyrrolidine-1-carboxylate
CID 115071770
tert-butyl (3aR,6aR)-3a-amino-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 124703885
3,3-difluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]cyclobutane-1-carboxylic acid
CID 155894489
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 99945788
tert-butyl (2R)-2-[1-(hydroxymethyl)cyclopropyl]pyrrolidine-1-carboxylate
CID 156693185
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate
CID 115071790
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (1R,7R)-8,8-difluoro-2-azabicyclo[5.1.0]octane-2-carboxylate
CID 98115602
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate (CID 84708288) is tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate is CC(C)(C)OC(=O)N1CCCCCC1C1(N)CC1.
What is the InChIKey of tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate?
The InChIKey is LGULBNJGIGDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-4-5-7-11(16)14(15)8-9-14/h11H,4-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate?
tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate is sourced from PubChem (CID 84708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).