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

C14H24N4O2 — CID 107237586

IUPACtert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
SMILESCCn1cncc1CNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18-9-15-7-10(18)8-16-11-6-12(11)17-13(19)20-14(2,3)4/h7,9,11-12,16H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyHQMYJRMMKBGNQB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds5

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

tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate (PubChem CID 107237586) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
PubChem CID107237586
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
SMILESCCn1cncc1CNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-5-18-9-15-7-10(18)8-16-11-6-12(11)17-13(19)20-14(2,3)4/h7,9,11-12,16H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyHQMYJRMMKBGNQB-UHFFFAOYSA-N
XLogP1.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
tert-butyl 4-[(3-ethylimidazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107255150
tert-butyl N-[1-cyclopropyl-2-[(3-ethylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107244046
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
CID 107248116
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]cyclopropyl]carbamate
CID 107238188
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
tert-butyl N-[2-[(3,4,5-trifluorophenyl)methylamino]cyclopropyl]carbamate
CID 107238083
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
CID 107237802

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate (CID 107237586) is tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate is CCn1cncc1CNC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate?
The InChIKey is HQMYJRMMKBGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-18-9-15-7-10(18)8-16-11-6-12(11)17-13(19)20-14(2,3)4/h7,9,11-12,16H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 1.66, 5 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]cyclopropyl]carbamate is sourced from PubChem (CID 107237586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).