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

C16H32N2O2 — CID 104537426

IUPACtert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
SMILESCCCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C16H32N2O2/c1-6-7-9-13(2)17-12-16(10-8-11-16)18-14(19)20-15(3,4)5/h13,17H,6-12H2,1-5H3,(H,18,19)
InChIKeyKONLYBBTJNJYQE-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.60
Rot. Bonds7

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

tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate (PubChem CID 104537426) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
PubChem CID104537426
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
SMILESCCCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C16H32N2O2/c1-6-7-9-13(2)17-12-16(10-8-11-16)18-14(19)20-15(3,4)5/h13,17H,6-12H2,1-5H3,(H,18,19)
InChIKeyKONLYBBTJNJYQE-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.60
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-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
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tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
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tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
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tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
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tert-butyl N-[(2R)-heptan-2-yl]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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate (CID 104537426) is tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate is CCCCC(C)NCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate?
The InChIKey is KONLYBBTJNJYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-7-9-13(2)17-12-16(10-8-11-16)18-14(19)20-15(3,4)5/h13,17H,6-12H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 104537426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).