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

C11H16N2 — CID 105436645

IUPAC6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNCC1CCc2c(N)cccc2C1
InChIInChI=1S/C11H16N2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-3,8H,4-7,12-13H2
InChIKeyFXJNSOBYBCFFLI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.33
Rot. Bonds1

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

6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 105436645) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID105436645
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNCC1CCc2c(N)cccc2C1
InChIInChI=1S/C11H16N2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-3,8H,4-7,12-13H2
InChIKeyFXJNSOBYBCFFLI-UHFFFAOYSA-N
XLogP1.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.33
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 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 105436645) is 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is NCC1CCc2c(N)cccc2C1.
What is the InChIKey of 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FXJNSOBYBCFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h1-3,8H,4-7,12-13H2.
What are the key properties of 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 176.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 105436645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).