1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

C12H18N2 — CID 84754057

IUPAC1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCCNC1CCCc2ccc(N)cc21
InChIInChI=1S/C12H18N2/c1-2-14-12-5-3-4-9-6-7-10(13)8-11(9)12/h6-8,12,14H,2-5,13H2,1H3
InChIKeySGAXCIBMNYDSMR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.26
Rot. Bonds2

About 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine

1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (PubChem CID 84754057) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
PubChem CID84754057
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESCCNC1CCCc2ccc(N)cc21
InChIInChI=1S/C12H18N2/c1-2-14-12-5-3-4-9-6-7-10(13)8-11(9)12/h6-8,12,14H,2-5,13H2,1H3
InChIKeySGAXCIBMNYDSMR-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine (CID 84754057) is 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is CCNC1CCCc2ccc(N)cc21.
What is the InChIKey of 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The InChIKey is SGAXCIBMNYDSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-14-12-5-3-4-9-6-7-10(13)8-11(9)12/h6-8,12,14H,2-5,13H2,1H3.
What are the key properties of 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine?
1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 84754057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).