tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate

C13H28N2O2 — CID 131977667

IUPACtert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
SMILESCC(CCN)CC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(6-7-14)8-11(2)9-15-12(16)17-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyDEKBFLTVBFFIPD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds6

About tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate

tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate (PubChem CID 131977667) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
PubChem CID131977667
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
SMILESCC(CCN)CC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(6-7-14)8-11(2)9-15-12(16)17-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyDEKBFLTVBFFIPD-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632
tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
CID 143883094
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate (CID 131977667) is tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate is CC(CCN)CC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate?
The InChIKey is DEKBFLTVBFFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(6-7-14)8-11(2)9-15-12(16)17-13(3,4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate?
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate is sourced from PubChem (CID 131977667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).