2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine

C14H14N2 — CID 123204598

IUPAC2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(c2cccc3ccccc23)CC1
InChIInChI=1S/C14H14N2/c15-14-9-8-13(16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H2,15,16)
InChIKeyGIAMZHSAAOJVKV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.03
Rot. Bonds1

About 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine

2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 123204598) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID123204598
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NC(c2cccc3ccccc23)CC1
InChIInChI=1S/C14H14N2/c15-14-9-8-13(16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H2,15,16)
InChIKeyGIAMZHSAAOJVKV-UHFFFAOYSA-N
XLogP3.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine (CID 123204598) is 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine is NC1=NC(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GIAMZHSAAOJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-14-9-8-13(16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H2,15,16).
What are the key properties of 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine?
2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 210.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 123204598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).