tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate

C14H26N4O2 — CID 103913871

IUPACtert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1nccn1C
InChIInChI=1S/C14H26N4O2/c1-11(12-16-8-9-17(12)5)15-7-10-18(6)13(19)20-14(2,3)4/h8-9,11,15H,7,10H2,1-6H3
InChIKeyNBLSYBVQDURVMM-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.94
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate (PubChem CID 103913871) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
PubChem CID103913871
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)c1nccn1C
InChIInChI=1S/C14H26N4O2/c1-11(12-16-8-9-17(12)5)15-7-10-18(6)13(19)20-14(2,3)4/h8-9,11,15H,7,10H2,1-6H3
InChIKeyNBLSYBVQDURVMM-UHFFFAOYSA-N
XLogP1.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
tert-butyl N-[2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780582
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
tert-butyl N-[2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]ethyl]-N-methylcarbamate
CID 107245057
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
tert-butyl N-[(4R)-4-hydroxy-4-(1-methylimidazol-2-yl)butyl]carbamate
CID 131724444

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate (CID 103913871) is tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate is CC(NCCN(C)C(=O)OC(C)(C)C)c1nccn1C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate?
The InChIKey is NBLSYBVQDURVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(12-16-8-9-17(12)5)15-7-10-18(6)13(19)20-14(2,3)4/h8-9,11,15H,7,10H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 103913871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).