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

C18H32N2O2 — CID 107256493

IUPACtert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CC2CC=CC21
InChIInChI=1S/C18H32N2O2/c1-5-6-9-14(12-19-17(21)22-18(2,3)4)20-16-11-13-8-7-10-15(13)16/h7,10,13-16,20H,5-6,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyBQFLVVRLLGFHMA-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.62
Rot. Bonds7

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

tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate (PubChem CID 107256493) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
PubChem CID107256493
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nametert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CC2CC=CC21
InChIInChI=1S/C18H32N2O2/c1-5-6-9-14(12-19-17(21)22-18(2,3)4)20-16-11-13-8-7-10-15(13)16/h7,10,13-16,20H,5-6,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyBQFLVVRLLGFHMA-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.62
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-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethyl]carbamate
CID 107244030
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)hexyl]carbamate
CID 107095362
tert-butyl N-[2-(heptan-3-ylamino)cyclopropyl]carbamate
CID 107237772

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate (CID 107256493) is tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CC2CC=CC21.
What is the InChIKey of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate?
The InChIKey is BQFLVVRLLGFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-6-9-14(12-19-17(21)22-18(2,3)4)20-16-11-13-8-7-10-15(13)16/h7,10,13-16,20H,5-6,8-9,11-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate?
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate has a molecular weight of 308.47 g/mol, XLogP of 3.62, 7 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)hexyl]carbamate is sourced from PubChem (CID 107256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).