5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde

C15H27NO — CID 174723972

IUPAC5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde
SMILESCCCCC(CC)CNC1CC=CC(C=O)C1
InChIInChI=1S/C15H27NO/c1-3-5-7-13(4-2)11-16-15-9-6-8-14(10-15)12-17/h6,8,12-16H,3-5,7,9-11H2,1-2H3
InChIKeyJTVNFQQPXDHOBU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.33
Rot. Bonds8

About 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde

5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde (PubChem CID 174723972) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde
PubChem CID174723972
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde
SMILESCCCCC(CC)CNC1CC=CC(C=O)C1
InChIInChI=1S/C15H27NO/c1-3-5-7-13(4-2)11-16-15-9-6-8-14(10-15)12-17/h6,8,12-16H,3-5,7,9-11H2,1-2H3
InChIKeyJTVNFQQPXDHOBU-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde (CID 174723972) is 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde is CCCCC(CC)CNC1CC=CC(C=O)C1.
What is the InChIKey of 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde?
The InChIKey is JTVNFQQPXDHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-7-13(4-2)11-16-15-9-6-8-14(10-15)12-17/h6,8,12-16H,3-5,7,9-11H2,1-2H3.
What are the key properties of 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde?
5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde has a molecular weight of 237.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexylamino)cyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174723972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).