trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine

C13H13N — CID 51888201

IUPACtrans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H13N/c14-13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8,14H2/t12-,13+/m0/s1
InChIKeyFLKVLOCMGKAHPS-QWHCGFSZSA-N
MW183.25 g/mol
LogP2.65
Rot. Bonds1

About trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine

trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine (PubChem CID 51888201) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
PubChem CID51888201
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Nametrans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H13N/c14-13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8,14H2/t12-,13+/m0/s1
InChIKeyFLKVLOCMGKAHPS-QWHCGFSZSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine (CID 51888201) is trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine?
The InChIKey is FLKVLOCMGKAHPS-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H13N/c14-13-8-12(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-13H,8,14H2/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine?
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine is sourced from PubChem (CID 51888201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).