tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate

C16H35N3O2 — CID 107442613

IUPACtert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
SMILESCC(CN(C)C)NCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)14(9-17-13(3)11-19(7)8)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20)
InChIKeyICBOHFVJYHEYGA-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.32
Rot. Bonds8

About tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate (PubChem CID 107442613) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
PubChem CID107442613
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC Nametert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
SMILESCC(CN(C)C)NCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)14(9-17-13(3)11-19(7)8)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20)
InChIKeyICBOHFVJYHEYGA-UHFFFAOYSA-N
XLogP2.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[3-methyl-2-[(4-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442740
tert-butyl N-[2-[(but-3-en-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442753
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[3-methyl-2-[(1-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442788
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[2-(aminooxymethyl)-3-methylbutyl]carbamate
CID 105491434
tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
CID 115614536

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate (CID 107442613) is tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate is CC(CN(C)C)NCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate?
The InChIKey is ICBOHFVJYHEYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-12(2)14(9-17-13(3)11-19(7)8)10-18-15(20)21-16(4,5)6/h12-14,17H,9-11H2,1-8H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate has a molecular weight of 301.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107442613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).