tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate

C18H30N4O2 — CID 99965018

IUPACtert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCn1ccnc1CN[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H30N4O2/c1-5-21-11-8-19-15(21)13-20-14-12-18(14)6-9-22(10-7-18)16(23)24-17(2,3)4/h8,11,14,20H,5-7,9-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyAZUFNNXQZLRMQF-AWEZNQCLSA-N
MW334.46 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 99965018) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID99965018
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCn1ccnc1CN[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H30N4O2/c1-5-21-11-8-19-15(21)13-20-14-12-18(14)6-9-22(10-7-18)16(23)24-17(2,3)4/h8,11,14,20H,5-7,9-10,12-13H2,1-4H3/t14-/m0/s1
InChIKeyAZUFNNXQZLRMQF-AWEZNQCLSA-N
XLogP2.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 3-ethyl-3-[(1-ethylimidazol-2-yl)methoxy]pyrrolidine-1-carboxylate
CID 106938800
tert-butyl (2S)-2-[3,4-dihydro-2H-pyran-6-carbonyl-[(1-ethylimidazol-2-yl)methyl]amino]-6-azaspiro[2.5]octane-6-carboxylate
CID 100716792
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
tert-butyl 2-[[(E)-4-(dimethylamino)but-2-enoyl]-[(1-methylimidazol-2-yl)methyl]amino]-6-azaspiro[2.5]octane-6-carboxylate
CID 146097708
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 10-[(4-methoxyphenyl)methylamino]-8-azaspiro[4.5]decane-8-carboxylate
CID 118238217
tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate
CID 103846730

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate (CID 99965018) is tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate is CCn1ccnc1CN[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is AZUFNNXQZLRMQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-21-11-8-19-15(21)13-20-14-12-18(14)6-9-22(10-7-18)16(23)24-17(2,3)4/h8,11,14,20H,5-7,9-10,12-13H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1-ethylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 99965018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).