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

C10H14N2 — CID 21256693

IUPAC1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESNc1ccc2c(c1)C(N)CCC2
InChIInChI=1S/C10H14N2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,11-12H2
InChIKeyFIILISPGQREIBX-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.60
Rot. Bonds

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

1,2,3,4-tetrahydronaphthalene-1,7-diamine (PubChem CID 21256693) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-1,7-diamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-1,7-diamine
PubChem CID21256693
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,2,3,4-tetrahydronaphthalene-1,7-diamine
SMILESNc1ccc2c(c1)C(N)CCC2
InChIInChI=1S/C10H14N2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,11-12H2
InChIKeyFIILISPGQREIBX-UHFFFAOYSA-N
XLogP1.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.60
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 1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-1,7-diamine (CID 21256693) is 1,2,3,4-tetrahydronaphthalene-1,7-diamine.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-1,7-diamine is Nc1ccc2c(c1)C(N)CCC2.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-1,7-diamine?
The InChIKey is FIILISPGQREIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10H,1-3,11-12H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-1,7-diamine?
1,2,3,4-tetrahydronaphthalene-1,7-diamine has a molecular weight of 162.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-1,7-diamine is sourced from PubChem (CID 21256693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).