tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate

C18H32N2O2 — CID 107246781

IUPACtert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC1CC2C=CC1C2)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-13(12-20(5)17(21)22-18(2,3)4)10-19-11-16-9-14-6-7-15(16)8-14/h6-7,13-16,19H,8-12H2,1-5H3
InChIKeyHCNMGWBWMASWML-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.29
Rot. Bonds6

About tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate (PubChem CID 107246781) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate
PubChem CID107246781
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC1CC2C=CC1C2)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-13(12-20(5)17(21)22-18(2,3)4)10-19-11-16-9-14-6-7-15(16)8-14/h6-7,13-16,19H,8-12H2,1-5H3
InChIKeyHCNMGWBWMASWML-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate
CID 103745375
tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
CID 107246654
tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
CID 103897090
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43769903
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178881
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate (CID 107246781) is tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate is CC(CNCC1CC2C=CC1C2)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate?
The InChIKey is HCNMGWBWMASWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(12-20(5)17(21)22-18(2,3)4)10-19-11-16-9-14-6-7-15(16)8-14/h6-7,13-16,19H,8-12H2,1-5H3.
What are the key properties of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate has a molecular weight of 308.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 107246781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).