tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate

C15H30N2O2 — CID 104530761

IUPACtert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
SMILESCCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H30N2O2/c1-6-8-12(2)16-11-15(9-7-10-15)17-13(18)19-14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyMRCHTIUDZPFBQT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.21
Rot. Bonds6

About tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate

tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate (PubChem CID 104530761) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
PubChem CID104530761
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
SMILESCCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H30N2O2/c1-6-8-12(2)16-11-15(9-7-10-15)17-13(18)19-14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyMRCHTIUDZPFBQT-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
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tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
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tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
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tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
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tert-butyl N-[1-[(2-methylsulfanylpropanoylamino)methyl]cycloheptyl]carbamate
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tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
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tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
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tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate (CID 104530761) is tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate is CCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate?
The InChIKey is MRCHTIUDZPFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-8-12(2)16-11-15(9-7-10-15)17-13(18)19-14(3,4)5/h12,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 104530761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).