tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate

C16H30N2O3 — CID 104537392

IUPACtert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC2CC(O)C2(C)C)CCC1
InChIInChI=1S/C16H30N2O3/c1-14(2,3)21-13(20)18-16(7-6-8-16)10-17-11-9-12(19)15(11,4)5/h11-12,17,19H,6-10H2,1-5H3,(H,18,20)
InChIKeyXCBCSFXJMIBELZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate (PubChem CID 104537392) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
PubChem CID104537392
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC2CC(O)C2(C)C)CCC1
InChIInChI=1S/C16H30N2O3/c1-14(2,3)21-13(20)18-16(7-6-8-16)10-17-11-9-12(19)15(11,4)5/h11-12,17,19H,6-10H2,1-5H3,(H,18,20)
InChIKeyXCBCSFXJMIBELZ-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
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CID 115976671
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CID 169182679
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopropyl]carbamate
CID 107237603
tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
CID 107243335
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate (CID 104537392) is tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNC2CC(O)C2(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate?
The InChIKey is XCBCSFXJMIBELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-14(2,3)21-13(20)18-16(7-6-8-16)10-17-11-9-12(19)15(11,4)5/h11-12,17,19H,6-10H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 104537392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).