3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate

C12H21N3O2 — CID 10633741

IUPAC3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyRYXCISICOBRNIT-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.11
Rot. Bonds5

About 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate (PubChem CID 10633741) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate
PubChem CID10633741
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)OCCCc1cnc[nH]1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyRYXCISICOBRNIT-UHFFFAOYSA-N
XLogP2.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate (CID 10633741) is 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CNC(=O)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate?
The InChIKey is RYXCISICOBRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate has a molecular weight of 239.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 10633741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).