tert-butyl N-[(5R)-5-aminohexyl]carbamate

C11H24N2O2 — CID 59986272

IUPACtert-butyl N-[(5R)-5-aminohexyl]carbamate
SMILESC[C@@H](N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyOEEWEINPDBGECK-SECBINFHSA-N
MW216.32 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl N-[(5R)-5-aminohexyl]carbamate

tert-butyl N-[(5R)-5-aminohexyl]carbamate (PubChem CID 59986272) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-[(5R)-5-aminohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5R)-5-aminohexyl]carbamate
PubChem CID59986272
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-[(5R)-5-aminohexyl]carbamate
SMILESC[C@@H](N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyOEEWEINPDBGECK-SECBINFHSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5R)-5-aminohexyl]carbamate?
The IUPAC name of tert-butyl N-[(5R)-5-aminohexyl]carbamate (CID 59986272) is tert-butyl N-[(5R)-5-aminohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5R)-5-aminohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(5R)-5-aminohexyl]carbamate is C[C@@H](N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5R)-5-aminohexyl]carbamate?
The InChIKey is OEEWEINPDBGECK-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(5R)-5-aminohexyl]carbamate?
tert-butyl N-[(5R)-5-aminohexyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5R)-5-aminohexyl]carbamate is sourced from PubChem (CID 59986272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).