[(5S)-5-amino-2-methylhexan-2-yl] carbamate

C8H18N2O2 — CID 174841923

IUPAC[(5S)-5-amino-2-methylhexan-2-yl] carbamate
SMILESC[C@H](N)CCC(C)(C)OC(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(9)4-5-8(2,3)12-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1
InChIKeyWRLFYHYMUZYRCG-LURJTMIESA-N
MW174.24 g/mol
LogP0.99
Rot. Bonds4

About [(5S)-5-amino-2-methylhexan-2-yl] carbamate

[(5S)-5-amino-2-methylhexan-2-yl] carbamate (PubChem CID 174841923) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(5S)-5-amino-2-methylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(5S)-5-amino-2-methylhexan-2-yl] carbamate
PubChem CID174841923
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(5S)-5-amino-2-methylhexan-2-yl] carbamate
SMILESC[C@H](N)CCC(C)(C)OC(N)=O
InChIInChI=1S/C8H18N2O2/c1-6(9)4-5-8(2,3)12-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1
InChIKeyWRLFYHYMUZYRCG-LURJTMIESA-N
XLogP0.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
2,5-dimethylheptan-2-yl carbamate
CID 123535810
(5-amino-5-cyclopropyl-2-methylpentan-2-yl) carbamate
CID 174597226
(6-chloro-5-hydroxy-2-methylhexan-2-yl) carbamate
CID 174876825
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
(5-fluoro-2-methylpentan-2-yl) carbamate
CID 150885569
(6-amino-2,6-dimethylheptan-2-yl) carbamate;hydrochloride
CID 162340751
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
2,3-dimethylbutan-2-yl carbamate
CID 20975410
[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate
CID 155600204
tert-butyl (4R)-4-aminopentanoate
CID 58781983
(2-methyl-1-nitrosopropan-2-yl) carbamate
CID 118038589

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-amino-2-methylhexan-2-yl] carbamate?
The IUPAC name of [(5S)-5-amino-2-methylhexan-2-yl] carbamate (CID 174841923) is [(5S)-5-amino-2-methylhexan-2-yl] carbamate.
What is the SMILES notation for [(5S)-5-amino-2-methylhexan-2-yl] carbamate?
The canonical SMILES for [(5S)-5-amino-2-methylhexan-2-yl] carbamate is C[C@H](N)CCC(C)(C)OC(N)=O.
What is the InChIKey of [(5S)-5-amino-2-methylhexan-2-yl] carbamate?
The InChIKey is WRLFYHYMUZYRCG-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(9)4-5-8(2,3)12-7(10)11/h6H,4-5,9H2,1-3H3,(H2,10,11)/t6-/m0/s1.
What are the key properties of [(5S)-5-amino-2-methylhexan-2-yl] carbamate?
[(5S)-5-amino-2-methylhexan-2-yl] carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-amino-2-methylhexan-2-yl] carbamate is sourced from PubChem (CID 174841923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).