tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate

C14H28N4O2 — CID 118689352

IUPACtert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate
SMILESCCCN(CCCNC(=O)OC(C)(C)C)C1=NCCN1
InChIInChI=1S/C14H28N4O2/c1-5-10-18(12-15-8-9-16-12)11-6-7-17-13(19)20-14(2,3)4/h5-11H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyRJBNRYDWERBZCA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds6

About tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate

tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate (PubChem CID 118689352) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate
PubChem CID118689352
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Nametert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate
SMILESCCCN(CCCNC(=O)OC(C)(C)C)C1=NCCN1
InChIInChI=1S/C14H28N4O2/c1-5-10-18(12-15-8-9-16-12)11-6-7-17-13(19)20-14(2,3)4/h5-11H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyRJBNRYDWERBZCA-UHFFFAOYSA-N
XLogP1.57
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate (CID 118689352) is tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate is CCCN(CCCNC(=O)OC(C)(C)C)C1=NCCN1.
What is the InChIKey of tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate?
The InChIKey is RJBNRYDWERBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-10-18(12-15-8-9-16-12)11-6-7-17-13(19)20-14(2,3)4/h5-11H2,1-4H3,(H,15,16)(H,17,19).
What are the key properties of tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate?
tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4,5-dihydro-1H-imidazol-2-yl(propyl)amino]propyl]carbamate is sourced from PubChem (CID 118689352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).