tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate

C17H30N2O3 — CID 107237597

IUPACtert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-12-9-11(12)18-13-10-7-6-8-21-14(10)17(13,4)5/h10-14,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyPCCBUUZJVUADIZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate (PubChem CID 107237597) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
PubChem CID107237597
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1C2CCCOC2C1(C)C
InChIInChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-12-9-11(12)18-13-10-7-6-8-21-14(10)17(13,4)5/h10-14,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyPCCBUUZJVUADIZ-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
CID 103921711
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
CID 81463041
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopropyl]carbamate
CID 107237603
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
CID 178113941
tert-butyl N-[(4S,4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 160939669
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
tert-butyl N-[8-[(3-methyloxetan-3-yl)methylamino]-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255683
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate (CID 107237597) is tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NC1C2CCCOC2C1(C)C.
What is the InChIKey of tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate?
The InChIKey is PCCBUUZJVUADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2,3)22-15(20)19-12-9-11(12)18-13-10-7-6-8-21-14(10)17(13,4)5/h10-14,18H,6-9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107237597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).