6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C13H17NO — CID 105455582

IUPAC6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCN(C)c1ccc2c(c1)CCCC2C=O
InChIInChI=1S/C13H17NO/c1-14(2)12-6-7-13-10(8-12)4-3-5-11(13)9-15/h6-9,11H,3-5H2,1-2H3
InChIKeyBPCHJCFNRBYLEX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.37
Rot. Bonds2

About 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 105455582) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID105455582
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCN(C)c1ccc2c(c1)CCCC2C=O
InChIInChI=1S/C13H17NO/c1-14(2)12-6-7-13-10(8-12)4-3-5-11(13)9-15/h6-9,11H,3-5H2,1-2H3
InChIKeyBPCHJCFNRBYLEX-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 105455582) is 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is CN(C)c1ccc2c(c1)CCCC2C=O.
What is the InChIKey of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is BPCHJCFNRBYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14(2)12-6-7-13-10(8-12)4-3-5-11(13)9-15/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 203.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 105455582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).