(5R,7S)-1-methyl-3-naphthalen-2-yladamantane

C21H24 — CID 11108619

IUPAC(5R,7S)-1-methyl-3-naphthalen-2-yladamantane
SMILESCC12C[C@H]3C[C@@H](C1)CC(c1ccc4ccccc4c1)(C3)C2
InChIInChI=1S/C21H24/c1-20-10-15-8-16(11-20)13-21(12-15,14-20)19-7-6-17-4-2-3-5-18(17)9-19/h2-7,9,15-16H,8,10-14H2,1H3/t15-,16+,20?,21?
InChIKeyDSGNVSBLBYEDBQ-XBLGPDGASA-N
MW276.42 g/mol
LogP5.70
Rot. Bonds1

About (5R,7S)-1-methyl-3-naphthalen-2-yladamantane

(5R,7S)-1-methyl-3-naphthalen-2-yladamantane (PubChem CID 11108619) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is (5R,7S)-1-methyl-3-naphthalen-2-yladamantane.

Molecular Properties

Compound Name(5R,7S)-1-methyl-3-naphthalen-2-yladamantane
PubChem CID11108619
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name(5R,7S)-1-methyl-3-naphthalen-2-yladamantane
SMILESCC12C[C@H]3C[C@@H](C1)CC(c1ccc4ccccc4c1)(C3)C2
InChIInChI=1S/C21H24/c1-20-10-15-8-16(11-20)13-21(12-15,14-20)19-7-6-17-4-2-3-5-18(17)9-19/h2-7,9,15-16H,8,10-14H2,1H3/t15-,16+,20?,21?
InChIKeyDSGNVSBLBYEDBQ-XBLGPDGASA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1-methyl-3-naphthalen-2-yladamantane?
The IUPAC name of (5R,7S)-1-methyl-3-naphthalen-2-yladamantane (CID 11108619) is (5R,7S)-1-methyl-3-naphthalen-2-yladamantane.
What is the SMILES notation for (5R,7S)-1-methyl-3-naphthalen-2-yladamantane?
The canonical SMILES for (5R,7S)-1-methyl-3-naphthalen-2-yladamantane is CC12C[C@H]3C[C@@H](C1)CC(c1ccc4ccccc4c1)(C3)C2.
What is the InChIKey of (5R,7S)-1-methyl-3-naphthalen-2-yladamantane?
The InChIKey is DSGNVSBLBYEDBQ-XBLGPDGASA-N. The full InChI is InChI=1S/C21H24/c1-20-10-15-8-16(11-20)13-21(12-15,14-20)19-7-6-17-4-2-3-5-18(17)9-19/h2-7,9,15-16H,8,10-14H2,1H3/t15-,16+,20?,21?.
What are the key properties of (5R,7S)-1-methyl-3-naphthalen-2-yladamantane?
(5R,7S)-1-methyl-3-naphthalen-2-yladamantane has a molecular weight of 276.42 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1-methyl-3-naphthalen-2-yladamantane is sourced from PubChem (CID 11108619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).