8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C15H24N2 — CID 105491978

IUPAC8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCN(CC)CC1CCCc2cccc(N)c21
InChIInChI=1S/C15H24N2/c1-3-17(4-2)11-13-9-5-7-12-8-6-10-14(16)15(12)13/h6,8,10,13H,3-5,7,9,11,16H2,1-2H3
InChIKeyZRPUCHLQQRJCDG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.03
Rot. Bonds4

About 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 105491978) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID105491978
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCCN(CC)CC1CCCc2cccc(N)c21
InChIInChI=1S/C15H24N2/c1-3-17(4-2)11-13-9-5-7-12-8-6-10-14(16)15(12)13/h6,8,10,13H,3-5,7,9,11,16H2,1-2H3
InChIKeyZRPUCHLQQRJCDG-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 105488680
8-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105493137
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
8-N,8-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 112708810
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67913401
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]ethanol
CID 63771637
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574

Frequently Asked Questions

What is the IUPAC name of 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 105491978) is 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is CCN(CC)CC1CCCc2cccc(N)c21.
What is the InChIKey of 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is ZRPUCHLQQRJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(4-2)11-13-9-5-7-12-8-6-10-14(16)15(12)13/h6,8,10,13H,3-5,7,9,11,16H2,1-2H3.
What are the key properties of 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 105491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).