tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate

C15H28N4O2 — CID 165340344

IUPACtert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(NC)c1cn(C)cn1
InChIInChI=1S/C15H28N4O2/c1-7-8-11(18-14(20)21-15(2,3)4)13(16-5)12-9-19(6)10-17-12/h9-11,13,16H,7-8H2,1-6H3,(H,18,20)
InChIKeyGHRMBMPSKJSTEF-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.37
Rot. Bonds6

About tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate

tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate (PubChem CID 165340344) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate
PubChem CID165340344
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate
SMILESCCCC(NC(=O)OC(C)(C)C)C(NC)c1cn(C)cn1
InChIInChI=1S/C15H28N4O2/c1-7-8-11(18-14(20)21-15(2,3)4)13(16-5)12-9-19(6)10-17-12/h9-11,13,16H,7-8H2,1-6H3,(H,18,20)
InChIKeyGHRMBMPSKJSTEF-UHFFFAOYSA-N
XLogP2.37
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]imidazol-1-yl]propanoate
CID 124565539
methyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]imidazol-1-yl]propanoate
CID 67163051
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
ethyl 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxy-2-(1-methylimidazol-4-yl)hexanoate
CID 71202514
methyl 2-(4-aminoimidazol-1-yl)-2-methylpropanoate;methyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]imidazol-1-yl]propanoate
CID 160923118
tert-butyl N-[(3R,4R)-4-(dimethoxymethyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
CID 140653777
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
CID 167715077
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
CID 130598570
ethyl 2-(methylamino)-3-(1-methylimidazol-4-yl)propanoate
CID 123403856
2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate
CID 160565867
tert-butyl N-[1-hydroxy-1-(1,3-oxazol-2-yl)butan-2-yl]carbamate
CID 21025725

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate (CID 165340344) is tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate is CCCC(NC(=O)OC(C)(C)C)C(NC)c1cn(C)cn1.
What is the InChIKey of tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate?
The InChIKey is GHRMBMPSKJSTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-7-8-11(18-14(20)21-15(2,3)4)13(16-5)12-9-19(6)10-17-12/h9-11,13,16H,7-8H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate?
tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate has a molecular weight of 296.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(methylamino)-1-(1-methylimidazol-4-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 165340344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).