4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde

C16H28N2O — CID 174386339

IUPAC4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(CN(C)CC)(CN(C)CC)C=CC1C=O
InChIInChI=1S/C16H28N2O/c1-6-17(4)12-16(13-18(5)7-2)9-8-15(11-19)14(3)10-16/h8-9,11,15H,3,6-7,10,12-13H2,1-2,4-5H3
InChIKeyMDJYNENXJKUCNQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.21
Rot. Bonds7

About 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde

4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde (PubChem CID 174386339) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde
PubChem CID174386339
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(CN(C)CC)(CN(C)CC)C=CC1C=O
InChIInChI=1S/C16H28N2O/c1-6-17(4)12-16(13-18(5)7-2)9-8-15(11-19)14(3)10-16/h8-9,11,15H,3,6-7,10,12-13H2,1-2,4-5H3
InChIKeyMDJYNENXJKUCNQ-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde (CID 174386339) is 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde is C=C1CC(CN(C)CC)(CN(C)CC)C=CC1C=O.
What is the InChIKey of 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The InChIKey is MDJYNENXJKUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-17(4)12-16(13-18(5)7-2)9-8-15(11-19)14(3)10-16/h8-9,11,15H,3,6-7,10,12-13H2,1-2,4-5H3.
What are the key properties of 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde?
4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde has a molecular weight of 264.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[[ethyl(methyl)amino]methyl]-6-methylidenecyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174386339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).