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

C17H30N2O2 — CID 103745375

IUPACtert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate
SMILESCN(CCCNCC1CC2C=CC1C2)C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19(4)9-5-8-18-12-15-11-13-6-7-14(15)10-13/h6-7,13-15,18H,5,8-12H2,1-4H3
InChIKeyCOGTWRDRPDBZSC-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.05
Rot. Bonds6

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

tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate (PubChem CID 103745375) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate
PubChem CID103745375
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nametert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate
SMILESCN(CCCNCC1CC2C=CC1C2)C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19(4)9-5-8-18-12-15-11-13-6-7-14(15)10-13/h6-7,13-15,18H,5,8-12H2,1-4H3
InChIKeyCOGTWRDRPDBZSC-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-methylpropyl]-N-methylcarbamate
CID 107246781
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate (CID 103745375) is tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate is CN(CCCNCC1CC2C=CC1C2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate?
The InChIKey is COGTWRDRPDBZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)21-16(20)19(4)9-5-8-18-12-15-11-13-6-7-14(15)10-13/h6-7,13-15,18H,5,8-12H2,1-4H3.
What are the key properties of tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate?
tert-butyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propyl]-N-methylcarbamate has a molecular weight of 294.44 g/mol, XLogP of 3.05, 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)propyl]-N-methylcarbamate is sourced from PubChem (CID 103745375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).