6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine

C16H20N2O — CID 70056363

IUPAC6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCc1ccoc1)C2
InChIInChI=1S/C16H20N2O/c17-16-3-1-2-13-10-14(4-5-15(13)16)18-8-6-12-7-9-19-11-12/h1-3,7,9,11,14,18H,4-6,8,10,17H2
InChIKeyTXYCIFXNLPYZFF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds4

About 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine

6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine (PubChem CID 70056363) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
PubChem CID70056363
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine
SMILESNc1cccc2c1CCC(NCCc1ccoc1)C2
InChIInChI=1S/C16H20N2O/c17-16-3-1-2-13-10-14(4-5-15(13)16)18-8-6-12-7-9-19-11-12/h1-3,7,9,11,14,18H,4-6,8,10,17H2
InChIKeyTXYCIFXNLPYZFF-UHFFFAOYSA-N
XLogP2.55
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
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 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine (CID 70056363) is 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine is Nc1cccc2c1CCC(NCCc1ccoc1)C2.
What is the InChIKey of 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
The InChIKey is TXYCIFXNLPYZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16-3-1-2-13-10-14(4-5-15(13)16)18-8-6-12-7-9-19-11-12/h1-3,7,9,11,14,18H,4-6,8,10,17H2.
What are the key properties of 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine?
6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(furan-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 70056363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).