ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde

C16H25NO — CID 163377790

IUPACethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde
SMILESCC.CNCC1(CC=O)CCCc2ccccc21
InChIInChI=1S/C14H19NO.C2H6/c1-15-11-14(9-10-16)8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,10,15H,4,6,8-9,11H2,1H3;1-2H3
InChIKeyGWJNUQJJWVYFAS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.10
Rot. Bonds4

About ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde

ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde (PubChem CID 163377790) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde.

Molecular Properties

Compound Nameethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde
PubChem CID163377790
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde
SMILESCC.CNCC1(CC=O)CCCc2ccccc21
InChIInChI=1S/C14H19NO.C2H6/c1-15-11-14(9-10-16)8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,10,15H,4,6,8-9,11H2,1H3;1-2H3
InChIKeyGWJNUQJJWVYFAS-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.10
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 ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde?
The IUPAC name of ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde (CID 163377790) is ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde.
What is the SMILES notation for ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde?
The canonical SMILES for ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde is CC.CNCC1(CC=O)CCCc2ccccc21.
What is the InChIKey of ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde?
The InChIKey is GWJNUQJJWVYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-15-11-14(9-10-16)8-4-6-12-5-2-3-7-13(12)14;1-2/h2-3,5,7,10,15H,4,6,8-9,11H2,1H3;1-2H3.
What are the key properties of ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde?
ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde has a molecular weight of 247.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde is sourced from PubChem (CID 163377790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).