3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

C12H19NO — CID 174387145

IUPAC3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(C)(C)C(N(C)C)=CC1C=O
InChIInChI=1S/C12H19NO/c1-9-7-12(2,3)11(13(4)5)6-10(9)8-14/h6,8,10H,1,7H2,2-5H3
InChIKeySKJBPQGTFHWPRU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.23
Rot. Bonds2

About 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde

3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (PubChem CID 174387145) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
PubChem CID174387145
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde
SMILESC=C1CC(C)(C)C(N(C)C)=CC1C=O
InChIInChI=1S/C12H19NO/c1-9-7-12(2,3)11(13(4)5)6-10(9)8-14/h6,8,10H,1,7H2,2-5H3
InChIKeySKJBPQGTFHWPRU-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.23
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The IUPAC name of 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde (CID 174387145) is 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is C=C1CC(C)(C)C(N(C)C)=CC1C=O.
What is the InChIKey of 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
The InChIKey is SKJBPQGTFHWPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-7-12(2,3)11(13(4)5)6-10(9)8-14/h6,8,10H,1,7H2,2-5H3.
What are the key properties of 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde?
3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde has a molecular weight of 193.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4,4-dimethyl-6-methylidenecyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 174387145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).