tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate

C16H34N2O2 — CID 107252614

IUPACtert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-12(2)16(9,18-10-14(3,4)5)11-17-13(19)20-15(6,7)8/h12,18H,10-11H2,1-9H3,(H,17,19)
InChIKeyBTRRDQGJMGGMPH-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.56
Rot. Bonds5

About tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate

tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate (PubChem CID 107252614) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
PubChem CID107252614
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-12(2)16(9,18-10-14(3,4)5)11-17-13(19)20-15(6,7)8/h12,18H,10-11H2,1-9H3,(H,17,19)
InChIKeyBTRRDQGJMGGMPH-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
CID 103097056
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627
tert-butyl N-[(2R)-2,3-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]butyl]carbamate
CID 129397429
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
CID 102610042
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
CID 104953993
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate (CID 107252614) is tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate is CC(C)C(C)(CNC(=O)OC(C)(C)C)NCC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate?
The InChIKey is BTRRDQGJMGGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-12(2)16(9,18-10-14(3,4)5)11-17-13(19)20-15(6,7)8/h12,18H,10-11H2,1-9H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate?
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate has a molecular weight of 286.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 107252614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).