tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate

C17H30N4O2 — CID 107243289

IUPACtert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
SMILESCCCn1ccnc1CNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H30N4O2/c1-5-10-21-11-9-19-14(21)12-18-13-17(7-6-8-17)20-15(22)23-16(2,3)4/h9,11,18H,5-8,10,12-13H2,1-4H3,(H,20,22)
InChIKeyACZOPUQNABUJIM-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.83
Rot. Bonds7

About tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243289) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
PubChem CID107243289
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
SMILESCCCn1ccnc1CNCC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H30N4O2/c1-5-10-21-11-9-19-14(21)12-18-13-17(7-6-8-17)20-15(22)23-16(2,3)4/h9,11,18H,5-8,10,12-13H2,1-4H3,(H,20,22)
InChIKeyACZOPUQNABUJIM-UHFFFAOYSA-N
XLogP2.83
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107246928
tert-butyl N-[3-methyl-1-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107248747
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
4-ethyl-1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65116048
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
3-(1-butylimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881395
tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 87007419

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate (CID 107243289) is tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate is CCCn1ccnc1CNCC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate?
The InChIKey is ACZOPUQNABUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-10-21-11-9-19-14(21)12-18-13-17(7-6-8-17)20-15(22)23-16(2,3)4/h9,11,18H,5-8,10,12-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).