tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate

C17H28N2O2 — CID 107244030

IUPACtert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC2CC=CC21)C1CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)19-15(11-7-8-11)10-18-14-9-12-5-4-6-13(12)14/h4,6,11-15,18H,5,7-10H2,1-3H3,(H,19,20)
InChIKeyLDEHFYKGOTVIHK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate

tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate (PubChem CID 107244030) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
PubChem CID107244030
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CC2CC=CC21)C1CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)19-15(11-7-8-11)10-18-14-9-12-5-4-6-13(12)14/h4,6,11-15,18H,5,7-10H2,1-3H3,(H,19,20)
InChIKeyLDEHFYKGOTVIHK-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
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-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate
CID 107251805
tert-butyl N-[1-cyclopropyl-2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107243980
tert-butyl N-[1-cyclopropyl-2-[(2-ethylcyclohexyl)amino]ethyl]carbamate
CID 107244035
tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)amino]-1-cyclopropylethyl]carbamate
CID 103872239
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
CID 107256493
tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
CID 107240434
tert-butyl N-[1-cyclopropyl-2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethyl]carbamate
CID 103905921
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
CID 103905910
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
CID 103905930
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate (CID 107244030) is tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CC2CC=CC21)C1CC1.
What is the InChIKey of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate?
The InChIKey is LDEHFYKGOTVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)19-15(11-7-8-11)10-18-14-9-12-5-4-6-13(12)14/h4,6,11-15,18H,5,7-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate?
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate is sourced from PubChem (CID 107244030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).