tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate

C16H29N5O2 — CID 107238844

IUPACtert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate
SMILESCN(C)c1ncc(CNC2CC(NC(=O)OC(C)(C)C)C2)n1C
InChIInChI=1S/C16H29N5O2/c1-16(2,3)23-15(22)19-12-7-11(8-12)17-9-13-10-18-14(20(4)5)21(13)6/h10-12,17H,7-9H2,1-6H3,(H,19,22)
InChIKeyPQZUABKHRUMZRC-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.63
Rot. Bonds5

About tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate (PubChem CID 107238844) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate
PubChem CID107238844
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Nametert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate
SMILESCN(C)c1ncc(CNC2CC(NC(=O)OC(C)(C)C)C2)n1C
InChIInChI=1S/C16H29N5O2/c1-16(2,3)23-15(22)19-12-7-11(8-12)17-9-13-10-18-14(20(4)5)21(13)6/h10-12,17H,7-9H2,1-6H3,(H,19,22)
InChIKeyPQZUABKHRUMZRC-UHFFFAOYSA-N
XLogP1.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pyrrolidin-2-one
CID 114154959
tert-butyl N-[(1S,3S)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 99630915
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate
CID 107239010
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate (CID 107238844) is tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate is CN(C)c1ncc(CNC2CC(NC(=O)OC(C)(C)C)C2)n1C.
What is the InChIKey of tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate?
The InChIKey is PQZUABKHRUMZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-16(2,3)23-15(22)19-12-7-11(8-12)17-9-13-10-18-14(20(4)5)21(13)6/h10-12,17H,7-9H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).