tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate

C16H30N4O2 — CID 103846730

IUPACtert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNCc1nccn1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O2/c1-6-10-20(15(21)22-16(3,4)5)11-8-17-13-14-18-9-12-19(14)7-2/h9,12,17H,6-8,10-11,13H2,1-5H3
InChIKeyRJMWPMRYDBBTKC-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.64
Rot. Bonds8

About tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate (PubChem CID 103846730) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate
PubChem CID103846730
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate
SMILESCCCN(CCNCc1nccn1CC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O2/c1-6-10-20(15(21)22-16(3,4)5)11-8-17-13-14-18-9-12-19(14)7-2/h9,12,17H,6-8,10-11,13H2,1-5H3
InChIKeyRJMWPMRYDBBTKC-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246246
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]ethyl]-N-propylcarbamate
CID 107246256
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245208
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
tert-butyl N-[2-[(3,4-dibromophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246041
tert-butyl N-[4-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107246928
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate (CID 103846730) is tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate is CCCN(CCNCc1nccn1CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate?
The InChIKey is RJMWPMRYDBBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-6-10-20(15(21)22-16(3,4)5)11-8-17-13-14-18-9-12-19(14)7-2/h9,12,17H,6-8,10-11,13H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate has a molecular weight of 310.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 103846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).