7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

C15H19NO — CID 142633255

IUPAC7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2c1CC(NCC1CC1)CC2
InChIInChI=1S/C15H19NO/c17-10-13-3-1-2-12-6-7-14(8-15(12)13)16-9-11-4-5-11/h1-3,10-11,14,16H,4-9H2
InChIKeyCIFUDBLKTKDJIX-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.36
Rot. Bonds4

About 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde

7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 142633255) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
PubChem CID142633255
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
SMILESO=Cc1cccc2c1CC(NCC1CC1)CC2
InChIInChI=1S/C15H19NO/c17-10-13-3-1-2-12-6-7-14(8-15(12)13)16-9-11-4-5-11/h1-3,10-11,14,16H,4-9H2
InChIKeyCIFUDBLKTKDJIX-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde (CID 142633255) is 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde is O=Cc1cccc2c1CC(NCC1CC1)CC2.
What is the InChIKey of 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is CIFUDBLKTKDJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-10-13-3-1-2-12-6-7-14(8-15(12)13)16-9-11-4-5-11/h1-3,10-11,14,16H,4-9H2.
What are the key properties of 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde?
7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 229.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 142633255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).