tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate

C14H26N4O2 — CID 107248116

IUPACtert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
SMILESCCn1cncc1CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-6-18-10-15-8-12(18)9-16-11(2)7-17-13(19)20-14(3,4)5/h8,10-11,16H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyNTYMXVYOYROGAL-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.91
Rot. Bonds6

About tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate

tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate (PubChem CID 107248116) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
PubChem CID107248116
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
SMILESCCn1cncc1CNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O2/c1-6-18-10-15-8-12(18)9-16-11(2)7-17-13(19)20-14(3,4)5/h8,10-11,16H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyNTYMXVYOYROGAL-UHFFFAOYSA-N
XLogP1.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate
CID 107253763
tert-butyl N-[1-cyclopropyl-2-[(3-ethylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107244046
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[[3-(2-methylsulfinylpropyl)imidazol-4-yl]methyl]carbamate
CID 114707568
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
ethyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate
CID 114704301
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
CID 107237586
tert-butyl N-[(3-but-2-ynylimidazol-4-yl)methyl]carbamate
CID 114707490
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate (CID 107248116) is tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate is CCn1cncc1CNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate?
The InChIKey is NTYMXVYOYROGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-6-18-10-15-8-12(18)9-16-11(2)7-17-13(19)20-14(3,4)5/h8,10-11,16H,6-7,9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate?
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate is sourced from PubChem (CID 107248116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).