tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate

C17H32N2O3 — CID 107445874

IUPACtert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CC2CCC1O2)C(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-16(2,3)19(15(20)22-17(4,5)6)10-9-18-13-11-12-7-8-14(13)21-12/h12-14,18H,7-11H2,1-6H3
InChIKeyIHPWAYIFUJMLTH-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate (PubChem CID 107445874) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
PubChem CID107445874
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC1CC2CCC1O2)C(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-16(2,3)19(15(20)22-17(4,5)6)10-9-18-13-11-12-7-8-14(13)21-12/h12-14,18H,7-11H2,1-6H3
InChIKeyIHPWAYIFUJMLTH-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 106359667
tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 97052837
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 107444815
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 104644781
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate (CID 107445874) is tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC1CC2CCC1O2)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate?
The InChIKey is IHPWAYIFUJMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)19(15(20)22-17(4,5)6)10-9-18-13-11-12-7-8-14(13)21-12/h12-14,18H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107445874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).