2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde

C12H21N3O — CID 91233035

IUPAC2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde
SMILESCc1nccn1C(C=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)15(10(3)4)12(8-16)14-7-6-13-11(14)5/h6-10,12H,1-5H3
InChIKeyUGOKBIROSDVLQQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds5

About 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde

2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde (PubChem CID 91233035) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde
PubChem CID91233035
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde
SMILESCc1nccn1C(C=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)15(10(3)4)12(8-16)14-7-6-13-11(14)5/h6-10,12H,1-5H3
InChIKeyUGOKBIROSDVLQQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde (CID 91233035) is 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde is Cc1nccn1C(C=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde?
The InChIKey is UGOKBIROSDVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15(10(3)4)12(8-16)14-7-6-13-11(14)5/h6-10,12H,1-5H3.
What are the key properties of 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde?
2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde has a molecular weight of 223.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 91233035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).