5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine

C14H16N2 — CID 116650626

IUPAC5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)CCCC2n1cccc1
InChIInChI=1S/C14H16N2/c15-12-6-7-13-11(10-12)4-3-5-14(13)16-8-1-2-9-16/h1-2,6-10,14H,3-5,15H2
InChIKeyOJSGPQKNFQIKOC-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.00
Rot. Bonds1

About 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine

5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 116650626) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID116650626
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)CCCC2n1cccc1
InChIInChI=1S/C14H16N2/c15-12-6-7-13-11(10-12)4-3-5-14(13)16-8-1-2-9-16/h1-2,6-10,14H,3-5,15H2
InChIKeyOJSGPQKNFQIKOC-UHFFFAOYSA-N
XLogP3.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
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 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 116650626) is 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine is Nc1ccc2c(c1)CCCC2n1cccc1.
What is the InChIKey of 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is OJSGPQKNFQIKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c15-12-6-7-13-11(10-12)4-3-5-14(13)16-8-1-2-9-16/h1-2,6-10,14H,3-5,15H2.
What are the key properties of 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine?
5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 212.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 116650626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).