benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate

C16H22N2O2 — CID 130138434

IUPACbenzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
SMILESNC1CC12CCC(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H22N2O2/c17-14-10-16(14)8-6-13(7-9-16)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19)
InChIKeyGJSTVIBOFJGZME-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.57
Rot. Bonds3

About benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate

benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate (PubChem CID 130138434) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
PubChem CID130138434
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
SMILESNC1CC12CCC(NC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C16H22N2O2/c17-14-10-16(14)8-6-13(7-9-16)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19)
InChIKeyGJSTVIBOFJGZME-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-(2-aminospiro[2.5]octan-6-yl)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

benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate?
The IUPAC name of benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate (CID 130138434) is benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate.
What is the SMILES notation for benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate?
The canonical SMILES for benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate is NC1CC12CCC(NC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate?
The InChIKey is GJSTVIBOFJGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-10-16(14)8-6-13(7-9-16)18-15(19)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,19).
What are the key properties of benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate?
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate has a molecular weight of 274.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate is sourced from PubChem (CID 130138434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).