tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate

C15H26N2O2 — CID 80562459

IUPACtert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CC=CCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-13-9-12(10-13)16-11-7-5-4-6-8-11/h4-5,11-13,16H,6-10H2,1-3H3,(H,17,18)
InChIKeyWMFDFWFTNACWBV-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate (PubChem CID 80562459) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate
PubChem CID80562459
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NC2CC=CCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-13-9-12(10-13)16-11-7-5-4-6-8-11/h4-5,11-13,16H,6-10H2,1-3H3,(H,17,18)
InChIKeyWMFDFWFTNACWBV-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.74
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

N-1-Boc-Amino-3-cyclopentene
CID 2756764
tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
Tert-butyl (3-(cyanomethylene)cyclobutyl)carbamate
CID 164943797
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate
CID 384583
di-tert-butyl ((1S,2S)-cyclohex-4-ene-1,2-diyl)dicarbamate
CID 66575486
(R)-4-(Boc-amino)cyclohexene
CID 66696471
Carbamic acid, (1R,2R)-4-cyclohexene-1,2-diylbis-, bis(1,1-dimethylethyl) ester
CID 10710258
tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
CID 45092400
tert-butyl ((1S,6S)-6-azidocyclohex-3-en-1-yl)carbamate
CID 11499655
tert-butyl N-[(4R)-hept-1-en-4-yl]carbamate
CID 95898077

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate (CID 80562459) is tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NC2CC=CCC2)C1.
What is the InChIKey of tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate?
The InChIKey is WMFDFWFTNACWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-13-9-12(10-13)16-11-7-5-4-6-8-11/h4-5,11-13,16H,6-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate has a molecular weight of 266.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclohex-3-en-1-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80562459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).