1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde

C12H16N2O — CID 176997282

IUPAC1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde
SMILESCN(C)c1cc(N)ccc1C1(C=O)CC1
InChIInChI=1S/C12H16N2O/c1-14(2)11-7-9(13)3-4-10(11)12(8-15)5-6-12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyPQAYJJIBUQATFD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.57
Rot. Bonds3

About 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde

1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde (PubChem CID 176997282) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde
PubChem CID176997282
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde
SMILESCN(C)c1cc(N)ccc1C1(C=O)CC1
InChIInChI=1S/C12H16N2O/c1-14(2)11-7-9(13)3-4-10(11)12(8-15)5-6-12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyPQAYJJIBUQATFD-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde (CID 176997282) is 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde is CN(C)c1cc(N)ccc1C1(C=O)CC1.
What is the InChIKey of 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde?
The InChIKey is PQAYJJIBUQATFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)11-7-9(13)3-4-10(11)12(8-15)5-6-12/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde?
1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(dimethylamino)phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 176997282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).