tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate

C16H30N4O2 — CID 107445762

IUPACtert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCCc1cnc[nH]1)C(C)(C)C
InChIInChI=1S/C16H30N4O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-17-8-7-13-11-18-12-19-13/h11-12,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyIRZABQJIPXLQDO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.58
Rot. Bonds6

About tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate (PubChem CID 107445762) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
PubChem CID107445762
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCCc1cnc[nH]1)C(C)(C)C
InChIInChI=1S/C16H30N4O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-17-8-7-13-11-18-12-19-13/h11-12,17H,7-10H2,1-6H3,(H,18,19)
InChIKeyIRZABQJIPXLQDO-UHFFFAOYSA-N
XLogP2.58
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 107445970
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229
tert-butyl 6-[2-(1H-imidazol-5-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398223
tert-butyl N-(6-aminohexanoyl)-N-[2-(1H-imidazol-5-yl)ethyl]carbamate
CID 86738847
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
ethyl 3-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 107445554
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate (CID 107445762) is tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCCc1cnc[nH]1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate?
The InChIKey is IRZABQJIPXLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-17-8-7-13-11-18-12-19-13/h11-12,17H,7-10H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 107445762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).