cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine

C10H19NO — CID 174573528

IUPACcyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CC1C=CCCC1
InChIInChI=1S/C7H10O.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h2,4,6-7H,1,3,5H2;1-3H3
InChIKeyUFMLXEGNZWJYOQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds1

About cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine

cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine (PubChem CID 174573528) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine.

Molecular Properties

Compound Namecyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine
PubChem CID174573528
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namecyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine
SMILESCN(C)C.O=CC1C=CCCC1
InChIInChI=1S/C7H10O.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h2,4,6-7H,1,3,5H2;1-3H3
InChIKeyUFMLXEGNZWJYOQ-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine?
The IUPAC name of cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine (CID 174573528) is cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine.
What is the SMILES notation for cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine?
The canonical SMILES for cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine is CN(C)C.O=CC1C=CCCC1.
What is the InChIKey of cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine?
The InChIKey is UFMLXEGNZWJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C3H9N/c8-6-7-4-2-1-3-5-7;1-4(2)3/h2,4,6-7H,1,3,5H2;1-3H3.
What are the key properties of cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine?
cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-ene-1-carbaldehyde;N,N-dimethylmethanamine is sourced from PubChem (CID 174573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).