2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde

C14H19NO — CID 117309973

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)c(C2(C(C)N)CC2)cc1C
InChIInChI=1S/C14H19NO/c1-9-6-12(8-16)13(7-10(9)2)14(4-5-14)11(3)15/h6-8,11H,4-5,15H2,1-3H3
InChIKeyBDFPMWIZIURYSY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds3

About 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde

2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde (PubChem CID 117309973) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde
PubChem CID117309973
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)c(C2(C(C)N)CC2)cc1C
InChIInChI=1S/C14H19NO/c1-9-6-12(8-16)13(7-10(9)2)14(4-5-14)11(3)15/h6-8,11H,4-5,15H2,1-3H3
InChIKeyBDFPMWIZIURYSY-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde (CID 117309973) is 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde is Cc1cc(C=O)c(C2(C(C)N)CC2)cc1C.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde?
The InChIKey is BDFPMWIZIURYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-6-12(8-16)13(7-10(9)2)14(4-5-14)11(3)15/h6-8,11H,4-5,15H2,1-3H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde?
2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 117309973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).