1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

C15H25N3 — CID 166926496

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCN(C)CCN(C)C1CCCc2ccc(N)cc21
InChIInChI=1S/C15H25N3/c1-17(2)9-10-18(3)15-6-4-5-12-7-8-13(16)11-14(12)15/h7-8,11,15H,4-6,9-10,16H2,1-3H3
InChIKeyARDILNZYAKIQBN-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.14
Rot. Bonds4

About 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (PubChem CID 166926496) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
PubChem CID166926496
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCN(C)CCN(C)C1CCCc2ccc(N)cc21
InChIInChI=1S/C15H25N3/c1-17(2)9-10-18(3)15-6-4-5-12-7-8-13(16)11-14(12)15/h7-8,11,15H,4-6,9-10,16H2,1-3H3
InChIKeyARDILNZYAKIQBN-UHFFFAOYSA-N
XLogP2.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (CID 166926496) is 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is CN(C)CCN(C)C1CCCc2ccc(N)cc21.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The InChIKey is ARDILNZYAKIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)9-10-18(3)15-6-4-5-12-7-8-13(16)11-14(12)15/h7-8,11,15H,4-6,9-10,16H2,1-3H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 166926496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).