tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate

C17H32N4O2 — CID 107253763

IUPACtert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cncn1CCC
InChIInChI=1S/C17H32N4O2/c1-6-8-14(10-20-16(22)23-17(3,4)5)19-12-15-11-18-13-21(15)9-7-2/h11,13-14,19H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyWXPHPDLFTBVVAC-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.08
Rot. Bonds9

About tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate

tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate (PubChem CID 107253763) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate
PubChem CID107253763
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cncn1CCC
InChIInChI=1S/C17H32N4O2/c1-6-8-14(10-20-16(22)23-17(3,4)5)19-12-15-11-18-13-21(15)9-7-2/h11,13-14,19H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyWXPHPDLFTBVVAC-UHFFFAOYSA-N
XLogP3.08
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
CID 107248116
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66132929
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253580
tert-butyl N-[2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253581
tert-butyl N-[[3-(3-aminopropyl)imidazol-4-yl]methyl]carbamate
CID 114704399
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-propylimidazol-4-yl)methylsulfanyl]propanoic acid
CID 103696814
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]pentyl]carbamate
CID 107253827
tert-butyl N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253463
tert-butyl N-ethyl-N-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107245444
tert-butyl N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]carbamate
CID 114704630
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate (CID 107253763) is tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NCc1cncn1CCC.
What is the InChIKey of tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate?
The InChIKey is WXPHPDLFTBVVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-6-8-14(10-20-16(22)23-17(3,4)5)19-12-15-11-18-13-21(15)9-7-2/h11,13-14,19H,6-10,12H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate?
tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.08, 9 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-propylimidazol-4-yl)methylamino]pentyl]carbamate is sourced from PubChem (CID 107253763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).