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

C17H28N2O2 — CID 107251805

IUPACtert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC1CC2CC=CC21)C1CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)18-10-15(11-7-8-11)19-14-9-12-5-4-6-13(12)14/h4,6,11-15,19H,5,7-10H2,1-3H3,(H,18,20)
InChIKeyFCSCXYKLWSZWDG-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds5

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

tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate (PubChem CID 107251805) 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)-2-cyclopropylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate
PubChem CID107251805
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC1CC2CC=CC21)C1CC1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)18-10-15(11-7-8-11)19-14-9-12-5-4-6-13(12)14/h4,6,11-15,19H,5,7-10H2,1-3H3,(H,18,20)
InChIKeyFCSCXYKLWSZWDG-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)-1-cyclopropylethyl]carbamate
CID 107244030
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
CID 107256493
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]carbamate
CID 107251762
tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
CID 107240434
tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[2-cyclopropyl-2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 113350804
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate (CID 107251805) is tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate is CC(C)(C)OC(=O)NCC(NC1CC2CC=CC21)C1CC1.
What is the InChIKey of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate?
The InChIKey is FCSCXYKLWSZWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)18-10-15(11-7-8-11)19-14-9-12-5-4-6-13(12)14/h4,6,11-15,19H,5,7-10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-cyclopropylethyl]carbamate?
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-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)-2-cyclopropylethyl]carbamate is sourced from PubChem (CID 107251805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).