tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate

C13H28N2O2 — CID 155943485

IUPACtert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
SMILESCN(CCC(N)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)10(14)8-9-15(7)11(16)17-13(4,5)6/h10H,8-9,14H2,1-7H3
InChIKeyQIFZPBNRTKSNLK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate

tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate (PubChem CID 155943485) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
PubChem CID155943485
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
SMILESCN(CCC(N)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)10(14)8-9-15(7)11(16)17-13(4,5)6/h10H,8-9,14H2,1-7H3
InChIKeyQIFZPBNRTKSNLK-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
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(2S)-2-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 87572620
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl (2S)-5-hydroxy-2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamoyl]oxypentaneperoxoate
CID 146349637
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate (CID 155943485) is tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate is CN(CCC(N)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate?
The InChIKey is QIFZPBNRTKSNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,3)10(14)8-9-15(7)11(16)17-13(4,5)6/h10H,8-9,14H2,1-7H3.
What are the key properties of tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate?
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate has a molecular weight of 244.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate is sourced from PubChem (CID 155943485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).