tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate

C15H33N3O2 — CID 115614536

IUPACtert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
SMILESCC(C)CC(CN(C)C)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-12(2)10-13(11-18(6)7)16-8-9-17-14(19)20-15(3,4)5/h12-13,16H,8-11H2,1-7H3,(H,17,19)
InChIKeyGFHLKCCXZVPWNG-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.08
Rot. Bonds8

About tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate (PubChem CID 115614536) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
PubChem CID115614536
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nametert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
SMILESCC(C)CC(CN(C)C)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-12(2)10-13(11-18(6)7)16-8-9-17-14(19)20-15(3,4)5/h12-13,16H,8-11H2,1-7H3,(H,17,19)
InChIKeyGFHLKCCXZVPWNG-UHFFFAOYSA-N
XLogP2.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 107445286
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613
tert-butyl 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-4-oxobutanoate
CID 106707208
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 102239667
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate (CID 115614536) is tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate is CC(C)CC(CN(C)C)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate?
The InChIKey is GFHLKCCXZVPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-12(2)10-13(11-18(6)7)16-8-9-17-14(19)20-15(3,4)5/h12-13,16H,8-11H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate has a molecular weight of 287.45 g/mol, XLogP of 2.08, 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)-4-methylpentan-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 115614536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).