naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C21H22N+ — CID 7322208

IUPACnaphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ccccc12
InChIInChI=1S/C21H21N/c1-3-12-19-16(7-1)9-5-11-18(19)15-22-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13,21-22H,6,10,14-15H2/p+1/t21-/m0/s1
InChIKeySTVLVCVLZYGPGU-NRFANRHFSA-O
MW288.41 g/mol
LogP3.98
Rot. Bonds3

About naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7322208) has the molecular formula C21H22N+ and a molecular weight of 288.41 g/mol. Its IUPAC name is naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7322208
Molecular FormulaC21H22N+
Molecular Weight288.41 g/mol
Exact Mass288.17
IUPAC Namenaphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ccccc12
InChIInChI=1S/C21H21N/c1-3-12-19-16(7-1)9-5-11-18(19)15-22-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13,21-22H,6,10,14-15H2/p+1/t21-/m0/s1
InChIKeySTVLVCVLZYGPGU-NRFANRHFSA-O
XLogP3.98
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7322208) is naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is STVLVCVLZYGPGU-NRFANRHFSA-O. The full InChI is InChI=1S/C21H21N/c1-3-12-19-16(7-1)9-5-11-18(19)15-22-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13,21-22H,6,10,14-15H2/p+1/t21-/m0/s1.
What are the key properties of naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 288.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7322208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).