tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate

C16H24BrN3O2 — CID 140558253

IUPACtert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate
SMILESCN(CC1(CNC(=O)OC(C)(C)C)CC1)c1cncc(Br)c1
InChIInChI=1S/C16H24BrN3O2/c1-15(2,3)22-14(21)19-10-16(5-6-16)11-20(4)13-7-12(17)8-18-9-13/h7-9H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyHVBWCOWSVLTQQU-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate (PubChem CID 140558253) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate
PubChem CID140558253
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Nametert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate
SMILESCN(CC1(CNC(=O)OC(C)(C)C)CC1)c1cncc(Br)c1
InChIInChI=1S/C16H24BrN3O2/c1-15(2,3)22-14(21)19-10-16(5-6-16)11-20(4)13-7-12(17)8-18-9-13/h7-9H,5-6,10-11H2,1-4H3,(H,19,21)
InChIKeyHVBWCOWSVLTQQU-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(E)-4-[(5-bromo-3-pyridinyl)methylamino]but-2-enyl]carbamate
CID 107253146
tert-butyl N-[[1-[[5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558276
tert-butyl N-[[1-[[4-(3-amino-1H-pyrazol-5-yl)-5-methoxy-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 164938342
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22265925
tert-butyl N-[2-[(5-bromo-3-pyridinyl)methylamino]hexyl]carbamate
CID 104857007
tert-butyl N-[[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclopentyl]methyl]carbamate
CID 86695607
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[[1-[[5-(4-chlorophenyl)-6-methyl-3-pyridinyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 140558225
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate (CID 140558253) is tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate is CN(CC1(CNC(=O)OC(C)(C)C)CC1)c1cncc(Br)c1.
What is the InChIKey of tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate?
The InChIKey is HVBWCOWSVLTQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-15(2,3)22-14(21)19-10-16(5-6-16)11-20(4)13-7-12(17)8-18-9-13/h7-9H,5-6,10-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate has a molecular weight of 370.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[(5-bromo-3-pyridinyl)-methylamino]methyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 140558253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).