tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate

C15H28N2O2 — CID 90691980

IUPACtert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)11-7-9-12(10-8-11)16-17-13(18)19-15(4,5)6/h9,11,16H,7-8,10H2,1-6H3,(H,17,18)
InChIKeyGQRMFVGTDRVWKT-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate

tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate (PubChem CID 90691980) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate
PubChem CID90691980
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)11-7-9-12(10-8-11)16-17-13(18)19-15(4,5)6/h9,11,16H,7-8,10H2,1-6H3,(H,17,18)
InChIKeyGQRMFVGTDRVWKT-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate (CID 90691980) is tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate is CC(C)(C)OC(=O)NNC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate?
The InChIKey is GQRMFVGTDRVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)11-7-9-12(10-8-11)16-17-13(18)19-15(4,5)6/h9,11,16H,7-8,10H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate?
tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate has a molecular weight of 268.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-tert-butylcyclohexen-1-yl)amino]carbamate is sourced from PubChem (CID 90691980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).