tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate

C15H30N4O2 — CID 110029275

IUPACtert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESC/N=C(\NC)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-14(2,3)21-13(20)19-9-7-15(4,8-10-19)11-18-12(16-5)17-6/h7-11H2,1-6H3,(H2,16,17,18)
InChIKeyFDDKRPNTPODXPT-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.82
Rot. Bonds2

About tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 110029275) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
PubChem CID110029275
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nametert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESC/N=C(\NC)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-14(2,3)21-13(20)19-9-7-15(4,8-10-19)11-18-12(16-5)17-6/h7-11H2,1-6H3,(H2,16,17,18)
InChIKeyFDDKRPNTPODXPT-UHFFFAOYSA-N
XLogP1.82
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110927242
tert-butyl 4-[(cyclopent-3-ene-1-carbonylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 86788331
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate (CID 110029275) is tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate is C/N=C(\NC)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is FDDKRPNTPODXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-14(2,3)21-13(20)19-9-7-15(4,8-10-19)11-18-12(16-5)17-6/h7-11H2,1-6H3,(H2,16,17,18).
What are the key properties of tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 110029275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).