tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate

C18H26N2O2 — CID 139492500

IUPACtert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCN(Cc3ccccc3)C(C1)C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-18-9-10-20(15(11-18)12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)
InChIKeyCVSZRMIVDLDVKH-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate

tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate (PubChem CID 139492500) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate
PubChem CID139492500
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CCN(Cc3ccccc3)C(C1)C2
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-18-9-10-20(15(11-18)12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)
InChIKeyCVSZRMIVDLDVKH-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-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-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
9-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936572
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954
tert-butyl N-(3-benzyl-5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)carbamate
CID 139713311
tert-butyl (2S)-4-benzyl-2-ethyl-3-(hydroxymethyl)piperazine-1-carboxylate
CID 176819673
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
tert-butyl 2-benzyl-3-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 23282836
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
tert-butyl N-[1-[(3S,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]cyclopropyl]carbamate
CID 15895249
methyl 2-[1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]acetate
CID 164729551

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate (CID 139492500) is tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate is CC(C)(C)OC(=O)NC12CCN(Cc3ccccc3)C(C1)C2.
What is the InChIKey of tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate?
The InChIKey is CVSZRMIVDLDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-18-9-10-20(15(11-18)12-18)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate?
tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)carbamate is sourced from PubChem (CID 139492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).