tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate

C19H32N2O2 — CID 107254658

IUPACtert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate
SMILESCC1(CNC2CC3CC=CC32)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-10-6-9-19(4,13-21)12-20-16-11-14-7-5-8-15(14)16/h5,8,14-16,20H,6-7,9-13H2,1-4H3
InChIKeyWVYISUTYLQCFTL-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate

tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate (PubChem CID 107254658) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate
PubChem CID107254658
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate
SMILESCC1(CNC2CC3CC=CC32)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-10-6-9-19(4,13-21)12-20-16-11-14-7-5-8-15(14)16/h5,8,14-16,20H,6-7,9-13H2,1-4H3
InChIKeyWVYISUTYLQCFTL-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-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 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
tert-butyl 3-[(3-aminopropylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254670
tert-butyl 3-[(2,2-dimethoxyethylamino)methyl]-3-methylpiperidine-1-carboxylate
CID 107254672
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 3-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 134364509
tert-butyl 3-methyl-3-[[1-(oxolan-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 104537846
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 3-[[(4-bromothiophen-2-yl)methylamino]methyl]-3-methylpiperidine-1-carboxylate
CID 107254661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate (CID 107254658) is tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate is CC1(CNC2CC3CC=CC32)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate?
The InChIKey is WVYISUTYLQCFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)23-17(22)21-10-6-9-19(4,13-21)12-20-16-11-14-7-5-8-15(14)16/h5,8,14-16,20H,6-7,9-13H2,1-4H3.
What are the key properties of tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate?
tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate has a molecular weight of 320.48 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107254658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).