5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C11H13NO — CID 174491506

IUPAC5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESNc1cccc2c1CCCC2C=O
InChIInChI=1S/C11H13NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6-8H,1,3,5,12H2
InChIKeyTTWRFNDDCYZQEC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.89
Rot. Bonds1

About 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 174491506) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID174491506
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESNc1cccc2c1CCCC2C=O
InChIInChI=1S/C11H13NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6-8H,1,3,5,12H2
InChIKeyTTWRFNDDCYZQEC-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
5-isocyano-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 123919629
5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 164523445
4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
CID 175292583
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 88775312
5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174393645
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
1-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-amine
CID 105470445
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
methyl 2-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoate
CID 105493116
bis(4-amino-2,3-dihydro-1H-inden-1-yl) (E)-but-2-enedioate
CID 174430284

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 174491506) is 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is Nc1cccc2c1CCCC2C=O.
What is the InChIKey of 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is TTWRFNDDCYZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h2,4,6-8H,1,3,5,12H2.
What are the key properties of 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174491506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).