tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate

C16H34N2O2 — CID 103714780

IUPACtert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNCC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-9-16(10-2,12-17-11-14(3,4)5)18-13(19)20-15(6,7)8/h17H,9-12H2,1-8H3,(H,18,19)
InChIKeyODFIXGMWLPCXGJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.71
Rot. Bonds6

About tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate (PubChem CID 103714780) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
PubChem CID103714780
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNCC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O2/c1-9-16(10-2,12-17-11-14(3,4)5)18-13(19)20-15(6,7)8/h17H,9-12H2,1-8H3,(H,18,19)
InChIKeyODFIXGMWLPCXGJ-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
CID 107251605
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
CID 103714773
tert-butyl N-[3-[[(3-methylcyclobutyl)amino]methyl]pentan-3-yl]carbamate
CID 104859858
tert-butyl N-[3-[[(2,5-dichlorophenyl)methylamino]methyl]pentan-3-yl]carbamate
CID 114076155
tert-butyl N-[3-[[(5-bromothiophen-3-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 107251602
tert-butyl N-[3-[[(4-ethylcyclohexyl)amino]methyl]pentan-3-yl]carbamate
CID 107251589
tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 103714741
tert-butyl N-[3-[[(4-methylcycloheptyl)amino]methyl]pentan-3-yl]carbamate
CID 107251671
tert-butyl N-[3-[[bis(dimethylamino)methylideneamino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111757918
tert-butyl N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]pentan-3-yl]carbamate
CID 111757891

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate (CID 103714780) is tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate is CCC(CC)(CNCC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate?
The InChIKey is ODFIXGMWLPCXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-9-16(10-2,12-17-11-14(3,4)5)18-13(19)20-15(6,7)8/h17H,9-12H2,1-8H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate has a molecular weight of 286.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 103714780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).