5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

C14H23NO — CID 174387423

IUPAC5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1C(C=O)C=CC(C)(C)C1CCNCC
InChIInChI=1S/C14H23NO/c1-5-15-9-7-13-11(2)12(10-16)6-8-14(13,3)4/h6,8,10,12-13,15H,2,5,7,9H2,1,3-4H3
InChIKeyFJBUTZJGTZNUDE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds5

About 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (PubChem CID 174387423) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
PubChem CID174387423
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1C(C=O)C=CC(C)(C)C1CCNCC
InChIInChI=1S/C14H23NO/c1-5-15-9-7-13-11(2)12(10-16)6-8-14(13,3)4/h6,8,10,12-13,15H,2,5,7,9H2,1,3-4H3
InChIKeyFJBUTZJGTZNUDE-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (CID 174387423) is 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is C=C1C(C=O)C=CC(C)(C)C1CCNCC.
What is the InChIKey of 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The InChIKey is FJBUTZJGTZNUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-9-7-13-11(2)12(10-16)6-8-14(13,3)4/h6,8,10,12-13,15H,2,5,7,9H2,1,3-4H3.
What are the key properties of 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde has a molecular weight of 221.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174387423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).