tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate

C17H34N2O2 — CID 80559507

IUPACtert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
SMILESCC(C)CCCC(C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-12(2)8-7-9-13(3)18-14-10-15(11-14)19-16(20)21-17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20)
InChIKeyLFMJYNFNXYZXHJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate (PubChem CID 80559507) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
PubChem CID80559507
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
SMILESCC(C)CCCC(C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-12(2)8-7-9-13(3)18-14-10-15(11-14)19-16(20)21-17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20)
InChIKeyLFMJYNFNXYZXHJ-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
CID 80560744
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate (CID 80559507) is tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate is CC(C)CCCC(C)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate?
The InChIKey is LFMJYNFNXYZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-12(2)8-7-9-13(3)18-14-10-15(11-14)19-16(20)21-17(4,5)6/h12-15,18H,7-11H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 80559507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).